isotropic vs anisotropic superconducting gaps

General discussion around the EPW software

Moderator: stiwari

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ilias-serifi
Posts: 60
Joined: Mon Dec 17, 2018 12:43 pm
Affiliation:

isotropic vs anisotropic superconducting gaps

Post by ilias-serifi »

Hello dear administrators and users

I'm working on superconductivity and the first input calculating the critical temperature is done, and as the tutorial we have two paths isotropic or anisotropic superconducting gaps, how can i know which one i will use ? there is any sign in the output ? or i must test the both calculations .



Best
Ilias

zega14
Posts: 15
Joined: Wed Oct 21, 2020 8:05 pm
Affiliation: University of Arkansas

Re: isotropic vs anisotropic superconducting gaps

Post by zega14 »

Hi Ilias

Have you used eliashberg = .true. ? If so, you have to specify laniso = .true. to calculate anisotropic superconductivity, and liso = .true. to calculate isotropic one.

If you have not used eliashberg = .true. flag, I think you are calculating the isotropic superconductivity.



Sincerely, Zegnet

hpaudya1
Posts: 190
Joined: Tue Mar 21, 2017 7:11 pm
Affiliation:

Re: isotropic vs anisotropic superconducting gaps

Post by hpaudya1 »

Hi Ilias,

First see the distribution of the electron-phonon coupling strength λ_k, saved in "prefix.lambda_k_pairs" file (For eg. in MgB_2, see https://journals.aps.org/prb/pdf/10.110 ... .87.024505 Fig. 5b). If you see an anisotropy in λ, most likely you will have anisotropy in \Delta too. Similarly you can plot the distribution of \Delta at different temps. to find Tc (Fig. 7a in the above ref.).

Best,
Hari

ilias-serifi
Posts: 60
Joined: Mon Dec 17, 2018 12:43 pm
Affiliation:

Re: isotropic vs anisotropic superconducting gaps

Post by ilias-serifi »

Hi Sir hari and Zegnet
Thanks you for the good reply


Well i see the input file and i didn't find that i write elishberg = true , my question is can i reproduce the calculation based on this ?
like i will make false for wannierise and epw and epw from write to read in order to reduce the time of execution and also have the same critical temperature ?

Code: Select all

--
&inputepw
  
  amass(1)    = 10.811
  amass(2)    = 32.065
  
  outdir      = './'

  iverbosity  = 0

  ep_coupling = .true.
  elph        = .true.
  epbwrite    = .true.
  epbread     = .false.

  epwwrite    = .true.
  epwread     = .false.

  nbndsub     =  12
   
  wannierize  = .true.
  num_iter    = 1000
  iprint      = 2
  dis_win_max =  1000
  dis_win_min =  -10
  dis_froz_max= -2
  dis_froz_min= -8

  proj(1) = 'B :pz'
  proj(2) = 'S: px,py,pz' 
  
  efermi_read  = .true.
  fermi_energy = -3.5501
  
! bands_skipped = 'exclude_bands = 1-2' 

  elecselfen  = .true.
  phonselfen  = .true.
  a2f         = .true.
  
!  wannier_plot_list = '2-3, 5-6, 9-16, 18'
  wdata(1)    = 'dis_num_iter = 5000'
  wdata(2)    = 'dis_mix_ratio = 0.9'
  wdata(3)    = 'guiding_centres = .true.'
  wdata(4)    = 'bands_plot = true'
  wdata(5)    = 'bands_num_points = 40'
  wdata(6)    = 'begin kpoint_path'
  wdata(7)    = 'G 0.00 0.00 0.00 Y 0.00 0.50 0.00'
  wdata(8)    = 'Y 0.00 0.50 0.00 T 0.50 0.50 0.00'
  wdata(9)    = 'T 0.50 0.50 0.00 Z 0.50 0.00 0.00'
  wdata(10)   = 'Z 0.50 0.00 0.00 G 0.00 0.00 0.00'
  wdata(11)   = 'end kpoint_path'
  wdata(12)   = 'num_print_cycles = 50'
  fermi_plot = .true.
  iverbosity  = 0
!  system_2d   = .true.

!  fsthick     = 10 ! eV 
  temps      = 1 ! K (same as PRB 76, 165108)
  degaussw    = 0.5 ! eV

  dvscf_dir   = '../phonon/save/'
  filukk      = './B3S.ukk'
 ! filqf       = 'path.dat' 
! 'Al_band.kpt'

  nkf1        = 140
  nkf2        = 140
  nkf3        = 1

  nqf1        = 70
  nqf2        = 70
  nqf3        = 1
  
  nk1         = 10
  nk2         = 10
  nk3         = 1

  nq1         = 5
  nq2         = 5
  nq3         = 1
 /
     13 cartesian

          0.000000000   0.000000000   0.000000000
          0.001118755   0.232323006   0.000000000
          0.002237510   0.464646013   0.000000000
          0.199995077  -0.001503953   0.000000000
          0.201113832   0.230819053   0.000000000
          0.202232587   0.463142060   0.000000000
          0.197757567  -0.466149966   0.000000000
          0.198876322  -0.233826960   0.000000000
          0.399990153  -0.003007906   0.000000000
          0.401108908   0.229315100   0.000000000
          0.402227663   0.461638107   0.000000000
          0.397752643  -0.467653919   0.000000000
          0.398871398  -0.235330913   0.000000000

Best
Last edited by ilias-serifi on Tue Sep 28, 2021 9:32 am, edited 1 time in total.

hpaudya1
Posts: 190
Joined: Tue Mar 21, 2017 7:11 pm
Affiliation:

Re: isotropic vs anisotropic superconducting gaps

Post by hpaudya1 »

Hi Ilias,

To solve the iso/aniso Eliashberg equations, first you need to calculate el-ph matrix elements in a fine mesh (ephwrite = .true.), which will be saved in a directory named 'prefix.ephmat'. After this, the code starts solving iso/aniso equations at the given temp based on your input flags.

In your case, you can restart your calculation by reading 'prefix.epmatwp, crystal.fmt, epwdata.fmt, vmedata.fmt/dmedata.fmt, prefix.ukk' files and write el-ph matrix elements, use the following flags

Code: Select all


! Restart
  epbwrite    = .false.
  epbread     = .false.

  epwwrite    = .false.
  epwread     = .true.

  wannierize  = .false.
  
  ! Write el-ph matrix elements
  ephwrite    = .true
  
  ! solve Eliashberg eqns.
  eliashberg  = .true.
  liso = .true. ! use laniso for anisotropic calculation
  limag = .true.
  temps = XX YY ! temperatures to solve iso/aniso equations
Please also note that if you need to re-run for a different temp, you can restart your calculation by reading the saved el-ph matrix elements. For this use the following flags;

Code: Select all

  ep_coupling = .false.
  elph        = .false.
  
  ephwrite = .false.
I hope it helps!

Happy EPWing,
Hari Paudyal
Last edited by hpaudya1 on Tue Sep 28, 2021 1:48 am, edited 1 time in total.

ilias-serifi
Posts: 60
Joined: Mon Dec 17, 2018 12:43 pm
Affiliation:

Re: isotropic vs anisotropic superconducting gaps

Post by ilias-serifi »

Hello dear hari

well i did all the commands and i had an error till i change wannierize from true to false and i add kmaps = true the calculation turns for each cordinate till
i get this error
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine write_ephmat (110):
error opening file ./B3S.ephmat/ephmat1
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

stopping ...
At line 96 of file error_handler.f90 (unit = 99)
Fortran runtime error: Cannot open file 'CRASH': Too many open files

Thanks a lot dear hari for your help

hpaudya1
Posts: 190
Joined: Tue Mar 21, 2017 7:11 pm
Affiliation:

Re: isotropic vs anisotropic superconducting gaps

Post by hpaudya1 »

Hi Ilias,

Yes you are right, it should be " wannierize = .false.", which I just corrected it.

Do you have "B3S.ephmat" directory where you can see ephmatXX (pool index), ikmap, egnv, freq files?

It would be nice if you could share your full output file.

Happy EPWing,
Hari

ilias-serifi
Posts: 60
Joined: Mon Dec 17, 2018 12:43 pm
Affiliation:

Re: isotropic vs anisotropic superconducting gaps

Post by ilias-serifi »

Hello Sir hari
I'm sorry for the late reply i got a technical problem in the hardware on my PC i just solve it
well in the error above i think that i don't have space in the hard disk
now i turn in another PC
This is the whole output
i dont know if i should restart all the calculations

Code: Select all

                                                                                      
                                       ``:oss/                                        
                           `.+s+.     .+ys--yh+     `./ss+.                           
                          -sh//yy+`   +yy   +yy    -+h+-oyy                           
                          -yh- .oyy/.-sh.   .syo-.:sy-  /yh                           
                 `.-.`    `yh+   -oyyyo.     `/syys:    oys      `.`                  
               `/+ssys+-` `sh+      `                   oys`   .:osyo`                
               -yh- ./syyooyo`                          .sys+/oyo--yh/                
               `yy+    .-:-.                             `-/+/:`  -sh-                
                /yh.                                              oys                 
          ``..---hho---------`   .---------..`      `.-----.`    -hd+---.             
       `./osmNMMMMMMMMMMMMMMMs. +NNMMMMMMMMNNmh+.   yNMMMMMNm-  oNMMMMMNmo++:`        
       +sy--/sdMMMhyyyyyyyNMMh- .oyNMMmyyyyyhNMMm+` -yMMMdyyo:` .oyyNMMNhs+syy`       
       -yy/   /MMM+.`-+/``mMMy-   `mMMh:`````.dMMN:` `MMMy-`-dhhy```mMMy:``+hs        
        -yy+` /MMMo:-mMM+`-oo/.    mMMh:     `dMMN/`  dMMm:`dMMMMy..MMMo-.+yo`        
         .sys`/MMMMNNMMMs-         mMMmyooooymMMNo:   oMMM/sMMMMMM++MMN//oh:          
          `sh+/MMMhyyMMMs- `-`     mMMMMMMMMMNmy+-`   -MMMhMMMsmMMmdMMd/yy+           
    `-/+++oyy-/MMM+.`/hh/.`mNm:`   mMMd+/////:-.`      NMMMMMd/:NMMMMMy:/yyo/:.`      
   +os+//:-..-oMMMo:--:::-/MMMo. .-mMMd+---`           hMMMMN+. oMMMMMo. `-+osyso:`   
   syo     `mNMMMMMNNNNNNNNMMMo.oNNMMMMMNNNN:`         +MMMMs:`  dMMMN/`     ``:syo   
   /yh`     :syyyyyyyyyyyyyyyy+.`+syyyyyyyyo:`         .oyys:`   .oyys:`        +yh   
   -yh-        ````````````````    `````````              ``        ``          oys   
   -+h/------------------------::::::::://////++++++++++++++++++++++///////::::/yd:   
   shdddddddddddddddddddddddddddddhhhhhhhhyyyyyssssssssssssssssyyyyyyyhhhhhhhddddh`   
                                                                                      
  S. Ponce, E. R. Margine, C. Verdi, and F. Giustino,                                 
                                                Comput. Phys. Commun. 209, 116 (2016) 
                                                                                      

     Program EPW v.5.3.0 starts on 12Oct2021 at 20:37:30 

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
          URL http://www.quantum-espresso.org", 
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI), running on     4 processors

     MPI processes distributed on     1 nodes
     K-points division:     npool     =       4
     Fft bands division:     nmany     =       1

     WARNING: The specified dis_win_min is ignored.
              You should instead use bands_skipped = 'exclude_bands = ...'
              to control the lower bound of band manifold.

     Reading supplied temperature list.
                      
     ------------------------------------------------------------------------ 
                   RESTART - RESTART - RESTART - RESTART                         
     Restart is done without reading PWSCF save file.                  
     Be aware that some consistency checks are therefore not done.                  
     ------------------------------------------------------------------------ 
                      

     --                                                                         

     bravais-lattice index     =            0
     lattice parameter (a_0)   =       0.0000  a.u.
     unit-cell volume          =       0.0000 (a.u.)^3
     number of atoms/cell      =            0
     number of atomic types    =            0
     kinetic-energy cut-off    =       0.0000  Ry
     charge density cut-off    =       0.0000  Ry
     Exchange-correlation= not set
                           (  -1  -1  -1  -1  -1  -1  -1)


     celldm(1)=    0.00000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of a_0)
               a(1) = (  0.0000  0.0000  0.0000 )  
               a(2) = (  0.0000  0.0000  0.0000 )  
               a(3) = (  0.0000  0.0000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/a_0)
               b(1) = (  0.0000  0.0000  0.0000 )  
               b(2) = (  0.0000  0.0000  0.0000 )  
               b(3) = (  0.0000  0.0000  0.0000 )  


     Atoms inside the unit cell: 

   Cartesian axes

     site n.  atom      mass           positions (a_0 units)


     No symmetry!

     G cutoff =    0.0000  (      0 G-vectors)     FFT grid: (  0,  0,  0)
     number of k points=    0
                       cart. coord. in units 2pi/a_0
     EPW          :      0.00s CPU      0.00s WALL

     EPW          :      0.00s CPU      0.00s WALL


     -------------------------------------------------------------------
     Using B3Se.ukk from disk
     -------------------------------------------------------------------


     Writing epmatq on .epb files


     The .epb files have been correctly written


     Do not need to read .epb files; read .fmt files


     Band disentanglement is used: nbndsub =   12
     Use zone-centred Wigner-Seitz cells 
     Number of WS vectors for electrons      103
     Number of WS vectors for phonons       25
     Number of WS vectors for electron-phonon       25
     Maximum number of cores for efficient parallelization      600
     Results may improve by using use_ws == .TRUE. 

     Reading Hamiltonian, Dynamical matrix and EP vertex in Wann rep from file


     Finished reading Wann rep data from file

     ===================================================================
     Memory usage:  VmHWM =        13Mb
                   VmPeak =       102Mb
     ===================================================================
     
     Using uniform q-mesh:   70  70   1
     Size of q point mesh for interpolation:       4900
     Using uniform k-mesh:  140 140   1
     Size of k point mesh for interpolation:      39200
     Max number of k points per pool:             9800

     Fermi energy coarse grid =  -3.629244 eV

     ===================================================================

     Fermi energy is read from the input file: Ef =  -3.629200 eV

     ===================================================================

     Skipping the first    2 bands:

     The Fermi level will be determined with  46.00000 electrons

              ibndmin =     1  ebndmin =    -4.227
              ibndmax =    12  ebndmax =     0.038


     Number of ep-matrix elements per pool :     16934400 ~=  129.20 Mb (@ 8 bytes/ DP)
      
     Reading selecq.fmt file. 
     We only need to compute     4900 q-points
      
     We restart from        5 q-points

     ismear =     1 iq =       5 coord.:   0.00000  0.05714  0.00000 wt:   0.00020 Temp:    1.000K
     -------------------------------------------------------------------
     lambda___(   1 )=      -0.000032   gamma___=      -0.000000 meV   omega=      1.2095 meV
     lambda_tr(   1 )=      -0.000011   gamma_tr=      -0.000000 meV   omega=      1.2095 meV
     lambda___(   2 )=     -14.923962   gamma___=      -0.272870 meV   omega=      2.4498 meV
     lambda_tr(   2 )=     -36.945034   gamma_tr=      -0.675503 meV   omega=      2.4498 meV
     lambda___(   3 )=      -3.548260   gamma___=      -0.152149 meV   omega=      3.7516 meV
     lambda_tr(   3 )=      -6.178717   gamma_tr=      -0.264943 meV   omega=      3.7516 meV
     lambda___(   4 )=       0.000000   gamma___=       0.000000 meV   omega=      9.1256 meV
     lambda_tr(   4 )=       0.000000   gamma_tr=       0.000000 meV   omega=      9.1256 meV
     lambda___(   5 )=       0.000000   gamma___=       0.000000 meV   omega=     18.4771 meV
     lambda_tr(   5 )=       0.000000   gamma_tr=       0.000000 meV   omega=     18.4771 meV
     lambda___(   6 )=       0.035311   gamma___=       0.052021 meV   omega=     21.9896 meV
     lambda_tr(   6 )=      -0.018050   gamma_tr=      -0.026591 meV   omega=     21.9896 meV
     lambda___(   7 )=       0.037652   gamma___=       0.076586 meV   omega=     25.8385 meV
     lambda_tr(   7 )=       0.023253   gamma_tr=       0.047297 meV   omega=     25.8385 meV
     lambda___(   8 )=       0.000000   gamma___=       0.000000 meV   omega=     31.6152 meV
     lambda_tr(   8 )=       0.000000   gamma_tr=       0.000000 meV   omega=     31.6152 meV
     lambda___(   9 )=       0.000000   gamma___=       0.000000 meV   omega=     33.1931 meV
     lambda_tr(   9 )=       0.000000   gamma_tr=       0.000000 meV   omega=     33.1931 meV
     lambda___(  10 )=       0.004161   gamma___=       0.024831 meV   omega=     44.2563 meV
     lambda_tr(  10 )=       0.001909   gamma_tr=       0.011394 meV   omega=     44.2563 meV
     lambda___(  11 )=       0.003712   gamma___=       0.025538 meV   omega=     47.5218 meV
     lambda_tr(  11 )=       0.002909   gamma_tr=       0.020016 meV   omega=     47.5218 meV
     lambda___(  12 )=       0.007072   gamma___=       0.049315 meV   omega=     47.8432 meV
     lambda_tr(  12 )=       0.005453   gamma_tr=       0.038025 meV   omega=     47.8432 meV
     lambda___(  13 )=       0.006035   gamma___=       0.049504 meV   omega=     51.8880 meV
     lambda_tr(  13 )=       0.006349   gamma_tr=       0.052081 meV   omega=     51.8880 meV
     lambda___(  14 )=       0.000000   gamma___=       0.000000 meV   omega=     54.1449 meV
     lambda_tr(  14 )=       0.000000   gamma_tr=       0.000000 meV   omega=     54.1449 meV
     lambda___(  15 )=       0.000000   gamma___=       0.000000 meV   omega=     59.7783 meV
     lambda_tr(  15 )=       0.000000   gamma_tr=       0.000000 meV   omega=     59.7783 meV
     lambda___(  16 )=       0.003989   gamma___=       0.046188 meV   omega=     61.6449 meV
     lambda_tr(  16 )=       0.002493   gamma_tr=       0.028865 meV   omega=     61.6449 meV
     lambda___(  17 )=       0.003971   gamma___=       0.049379 meV   omega=     63.8876 meV
     lambda_tr(  17 )=       0.000767   gamma_tr=       0.009543 meV   omega=     63.8876 meV
     lambda___(  18 )=       0.000000   gamma___=       0.000000 meV   omega=     67.3634 meV
     lambda_tr(  18 )=       0.000000   gamma_tr=       0.000000 meV   omega=     67.3634 meV
     lambda___(  19 )=       0.007600   gamma___=       0.152886 meV   omega=     81.2596 meV
     lambda_tr(  19 )=       0.007954   gamma_tr=       0.160021 meV   omega=     81.2596 meV
     lambda___(  20 )=       0.011110   gamma___=       0.259978 meV   omega=     87.6405 meV
     lambda_tr(  20 )=       0.011362   gamma_tr=       0.265872 meV   omega=     87.6405 meV
     lambda___(  21 )=       0.010405   gamma___=       0.275633 meV   omega=     93.2440 meV
     lambda_tr(  21 )=       0.005372   gamma_tr=       0.142296 meV   omega=     93.2440 meV
     lambda___(  22 )=       0.000513   gamma___=       0.019435 meV   omega=    111.5262 meV
     lambda_tr(  22 )=       0.000485   gamma_tr=       0.018398 meV   omega=    111.5262 meV
     lambda___(  23 )=       0.003061   gamma___=       0.142616 meV   omega=    123.6682 meV
     lambda_tr(  23 )=       0.002664   gamma_tr=       0.124134 meV   omega=    123.6682 meV
     lambda___(  24 )=       0.000389   gamma___=       0.020974 meV   omega=    133.0403 meV
     lambda_tr(  24 )=       0.000403   gamma_tr=       0.021722 meV   omega=    133.0403 meV
     lambda___( tot )=     -18.337274
     lambda_tr( tot )=     -43.070438
     -------------------------------------------------------------------


     Number of (k,k+q) pairs on the Fermi surface:    19600 out of    19600


     ismear =     1 iq =       5 coord.:   0.00000  0.05714  0.00000 wt:   0.00020 Temp:    2.000K
     -------------------------------------------------------------------
     lambda___(   1 )=      -0.000032   gamma___=      -0.000000 meV   omega=      1.2095 meV
     lambda_tr(   1 )=      -0.000011   gamma_tr=      -0.000000 meV   omega=      1.2095 meV
     lambda___(   2 )=     -14.895962   gamma___=      -0.272358 meV   omega=      2.4498 meV
     lambda_tr(   2 )=     -36.876775   gamma_tr=      -0.674255 meV   omega=      2.4498 meV
     lambda___(   3 )=      -3.554062   gamma___=      -0.152398 meV   omega=      3.7516 meV
     lambda_tr(   3 )=      -6.177678   gamma_tr=      -0.264898 meV   omega=      3.7516 meV
     lambda___(   4 )=       0.000000   gamma___=       0.000000 meV   omega=      9.1256 meV
     lambda_tr(   4 )=       0.000000   gamma_tr=       0.000000 meV   omega=      9.1256 meV
     lambda___(   5 )=       0.000000   gamma___=       0.000000 meV   omega=     18.4771 meV
     lambda_tr(   5 )=       0.000000   gamma_tr=       0.000000 meV   omega=     18.4771 meV
     lambda___(   6 )=       0.035302   gamma___=       0.052006 meV   omega=     21.9896 meV
     lambda_tr(   6 )=      -0.017980   gamma_tr=      -0.026488 meV   omega=     21.9896 meV
     lambda___(   7 )=       0.037602   gamma___=       0.076485 meV   omega=     25.8385 meV
     lambda_tr(   7 )=       0.023192   gamma_tr=       0.047175 meV   omega=     25.8385 meV
     lambda___(   8 )=       0.000000   gamma___=       0.000000 meV   omega=     31.6152 meV
     lambda_tr(   8 )=       0.000000   gamma_tr=       0.000000 meV   omega=     31.6152 meV
     lambda___(   9 )=       0.000000   gamma___=       0.000000 meV   omega=     33.1931 meV
     lambda_tr(   9 )=       0.000000   gamma_tr=       0.000000 meV   omega=     33.1931 meV
     lambda___(  10 )=       0.004155   gamma___=       0.024794 meV   omega=     44.2563 meV
     lambda_tr(  10 )=       0.001909   gamma_tr=       0.011395 meV   omega=     44.2563 meV
     lambda___(  11 )=       0.003715   gamma___=       0.025562 meV   omega=     47.5218 meV
     lambda_tr(  11 )=       0.002913   gamma_tr=       0.020045 meV   omega=     47.5218 meV
     lambda___(  12 )=       0.007065   gamma___=       0.049271 meV   omega=     47.8432 meV
     lambda_tr(  12 )=       0.005428   gamma_tr=       0.037856 meV   omega=     47.8432 meV
     lambda___(  13 )=       0.006035   gamma___=       0.049502 meV   omega=     51.8880 meV
     lambda_tr(  13 )=       0.006355   gamma_tr=       0.052127 meV   omega=     51.8880 meV
     lambda___(  14 )=       0.000000   gamma___=       0.000000 meV   omega=     54.1449 meV
     lambda_tr(  14 )=       0.000000   gamma_tr=       0.000000 meV   omega=     54.1449 meV
     lambda___(  15 )=       0.000000   gamma___=       0.000000 meV   omega=     59.7783 meV
     lambda_tr(  15 )=       0.000000   gamma_tr=       0.000000 meV   omega=     59.7783 meV
     lambda___(  16 )=       0.003987   gamma___=       0.046160 meV   omega=     61.6449 meV
     lambda_tr(  16 )=       0.002493   gamma_tr=       0.028858 meV   omega=     61.6449 meV
     lambda___(  17 )=       0.003969   gamma___=       0.049352 meV   omega=     63.8876 meV
     lambda_tr(  17 )=       0.000767   gamma_tr=       0.009534 meV   omega=     63.8876 meV
     lambda___(  18 )=       0.000000   gamma___=       0.000000 meV   omega=     67.3634 meV
     lambda_tr(  18 )=       0.000000   gamma_tr=       0.000000 meV   omega=     67.3634 meV
     lambda___(  19 )=       0.007601   gamma___=       0.152921 meV   omega=     81.2596 meV
     lambda_tr(  19 )=       0.007958   gamma_tr=       0.160087 meV   omega=     81.2596 meV
     lambda___(  20 )=       0.011115   gamma___=       0.260115 meV   omega=     87.6405 meV
     lambda_tr(  20 )=       0.011371   gamma_tr=       0.266082 meV   omega=     87.6405 meV
     lambda___(  21 )=       0.010409   gamma___=       0.275723 meV   omega=     93.2440 meV
     lambda_tr(  21 )=       0.005359   gamma_tr=       0.141969 meV   omega=     93.2440 meV
     lambda___(  22 )=       0.000513   gamma___=       0.019443 meV   omega=    111.5262 meV
     lambda_tr(  22 )=       0.000485   gamma_tr=       0.018390 meV   omega=    111.5262 meV
     lambda___(  23 )=       0.003060   gamma___=       0.142581 meV   omega=    123.6682 meV
     lambda_tr(  23 )=       0.002663   gamma_tr=       0.124074 meV   omega=    123.6682 meV
     lambda___(  24 )=       0.000389   gamma___=       0.020967 meV   omega=    133.0403 meV
     lambda_tr(  24 )=       0.000403   gamma_tr=       0.021715 meV   omega=    133.0403 meV
     lambda___( tot )=     -18.315139
     lambda_tr( tot )=     -43.001148
     -------------------------------------------------------------------


     Number of (k,k+q) pairs on the Fermi surface:    19600 out of    19600


     ismear =     1 iq =       5 coord.:   0.00000  0.05714  0.00000 wt:   0.00020 Temp:    3.000K
     -------------------------------------------------------------------
     lambda___(   1 )=      -0.000032   gamma___=      -0.000000 meV   omega=      1.2095 meV
     lambda_tr(   1 )=      -0.000011   gamma_tr=      -0.000000 meV   omega=      1.2095 meV
     lambda___(   2 )=     -14.880527   gamma___=      -0.272076 meV   omega=      2.4498 meV
     lambda_tr(   2 )=     -36.846549   gamma_tr=      -0.673702 meV   omega=      2.4498 meV
     lambda___(   3 )=      -3.554656   gamma___=      -0.152423 meV   omega=      3.7516 meV
     lambda_tr(   3 )=      -6.175269   gamma_tr=      -0.264795 meV   omega=      3.7516 meV
     lambda___(   4 )=       0.000000   gamma___=       0.000000 meV   omega=      9.1256 meV
     lambda_tr(   4 )=       0.000000   gamma_tr=       0.000000 meV   omega=      9.1256 meV
     lambda___(   5 )=       0.000000   gamma___=       0.000000 meV   omega=     18.4771 meV
     lambda_tr(   5 )=       0.000000   gamma_tr=       0.000000 meV   omega=     18.4771 meV
     lambda___(   6 )=       0.035252   gamma___=       0.051933 meV   omega=     21.9896 meV
     lambda_tr(   6 )=      -0.017995   gamma_tr=      -0.026510 meV   omega=     21.9896 meV
     lambda___(   7 )=       0.037536   gamma___=       0.076351 meV   omega=     25.8385 meV
     lambda_tr(   7 )=       0.023078   gamma_tr=       0.046941 meV   omega=     25.8385 meV
     lambda___(   8 )=       0.000000   gamma___=       0.000000 meV   omega=     31.6152 meV
     lambda_tr(   8 )=       0.000000   gamma_tr=       0.000000 meV   omega=     31.6152 meV
     lambda___(   9 )=       0.000000   gamma___=       0.000000 meV   omega=     33.1931 meV
     lambda_tr(   9 )=       0.000000   gamma_tr=       0.000000 meV   omega=     33.1931 meV
     lambda___(  10 )=       0.004150   gamma___=       0.024765 meV   omega=     44.2563 meV
     lambda_tr(  10 )=       0.001883   gamma_tr=       0.011238 meV   omega=     44.2563 meV
     lambda___(  11 )=       0.003718   gamma___=       0.025578 meV   omega=     47.5218 meV
     lambda_tr(  11 )=       0.002914   gamma_tr=       0.020050 meV   omega=     47.5218 meV
     lambda___(  12 )=       0.007060   gamma___=       0.049236 meV   omega=     47.8432 meV
     lambda_tr(  12 )=       0.005399   gamma_tr=       0.037654 meV   omega=     47.8432 meV
     lambda___(  13 )=       0.006033   gamma___=       0.049490 meV   omega=     51.8880 meV
     lambda_tr(  13 )=       0.006356   gamma_tr=       0.052136 meV   omega=     51.8880 meV
     lambda___(  14 )=       0.000000   gamma___=       0.000000 meV   omega=     54.1449 meV
     lambda_tr(  14 )=       0.000000   gamma_tr=       0.000000 meV   omega=     54.1449 meV
     lambda___(  15 )=       0.000000   gamma___=       0.000000 meV   omega=     59.7783 meV
     lambda_tr(  15 )=       0.000000   gamma_tr=       0.000000 meV   omega=     59.7783 meV
     lambda___(  16 )=       0.003985   gamma___=       0.046137 meV   omega=     61.6449 meV
     lambda_tr(  16 )=       0.002490   gamma_tr=       0.028828 meV   omega=     61.6449 meV
     lambda___(  17 )=       0.003966   gamma___=       0.049324 meV   omega=     63.8876 meV
     lambda_tr(  17 )=       0.000765   gamma_tr=       0.009509 meV   omega=     63.8876 meV
     lambda___(  18 )=       0.000000   gamma___=       0.000000 meV   omega=     67.3634 meV
     lambda_tr(  18 )=       0.000000   gamma_tr=       0.000000 meV   omega=     67.3634 meV
     lambda___(  19 )=       0.007602   gamma___=       0.152936 meV   omega=     81.2596 meV
     lambda_tr(  19 )=       0.007958   gamma_tr=       0.160093 meV   omega=     81.2596 meV
     lambda___(  20 )=       0.011118   gamma___=       0.260165 meV   omega=     87.6405 meV
     lambda_tr(  20 )=       0.011372   gamma_tr=       0.266123 meV   omega=     87.6405 meV
     lambda___(  21 )=       0.010410   gamma___=       0.275745 meV   omega=     93.2440 meV
     lambda_tr(  21 )=       0.005348   gamma_tr=       0.141655 meV   omega=     93.2440 meV
     lambda___(  22 )=       0.000513   gamma___=       0.019451 meV   omega=    111.5262 meV
     lambda_tr(  22 )=       0.000485   gamma_tr=       0.018381 meV   omega=    111.5262 meV
     lambda___(  23 )=       0.003059   gamma___=       0.142541 meV   omega=    123.6682 meV
     lambda_tr(  23 )=       0.002661   gamma_tr=       0.123974 meV   omega=    123.6682 meV
     lambda___(  24 )=       0.000389   gamma___=       0.020964 meV   omega=    133.0403 meV
     lambda_tr(  24 )=       0.000403   gamma_tr=       0.021707 meV   omega=    133.0403 meV
     lambda___( tot )=     -18.300424
     lambda_tr( tot )=     -42.968713
     -------------------------------------------------------------------


     Number of (k,k+q) pairs on the Fermi surface:    19600 out of    19600


     ismear =     1 iq =       5 coord.:   0.00000  0.05714  0.00000 wt:   0.00020 Temp:    5.000K
     -------------------------------------------------------------------
     lambda___(   1 )=      -0.000032   gamma___=      -0.000000 meV   omega=      1.2095 meV
     lambda_tr(   1 )=      -0.000011   gamma_tr=      -0.000000 meV   omega=      1.2095 meV
     lambda___(   2 )=     -14.885983   gamma___=      -0.272175 meV   omega=      2.4498 meV
     lambda_tr(   2 )=     -36.834208   gamma_tr=      -0.673477 meV   omega=      2.4498 meV
     lambda___(   3 )=      -3.554025   gamma___=      -0.152396 meV   omega=      3.7516 meV
     lambda_tr(   3 )=      -6.166842   gamma_tr=      -0.264434 meV   omega=      3.7516 meV
     lambda___(   4 )=       0.000000   gamma___=       0.000000 meV   omega=      9.1256 meV
     lambda_tr(   4 )=       0.000000   gamma_tr=       0.000000 meV   omega=      9.1256 meV
     lambda___(   5 )=       0.000000   gamma___=       0.000000 meV   omega=     18.4771 meV
     lambda_tr(   5 )=       0.000000   gamma_tr=       0.000000 meV   omega=     18.4771 meV
     lambda___(   6 )=       0.035148   gamma___=       0.051779 meV   omega=     21.9896 meV
     lambda_tr(   6 )=      -0.017873   gamma_tr=      -0.026330 meV   omega=     21.9896 meV
     lambda___(   7 )=       0.037418   gamma___=       0.076111 meV   omega=     25.8385 meV
     lambda_tr(   7 )=       0.022886   gamma_tr=       0.046551 meV   omega=     25.8385 meV
     lambda___(   8 )=       0.000000   gamma___=       0.000000 meV   omega=     31.6152 meV
     lambda_tr(   8 )=       0.000000   gamma_tr=       0.000000 meV   omega=     31.6152 meV
     lambda___(   9 )=       0.000000   gamma___=       0.000000 meV   omega=     33.1931 meV
     lambda_tr(   9 )=       0.000000   gamma_tr=       0.000000 meV   omega=     33.1931 meV
     lambda___(  10 )=       0.004144   gamma___=       0.024730 meV   omega=     44.2563 meV
     lambda_tr(  10 )=       0.001845   gamma_tr=       0.011009 meV   omega=     44.2563 meV
     lambda___(  11 )=       0.003721   gamma___=       0.025602 meV   omega=     47.5218 meV
     lambda_tr(  11 )=       0.002915   gamma_tr=       0.020059 meV   omega=     47.5218 meV
     lambda___(  12 )=       0.007054   gamma___=       0.049195 meV   omega=     47.8432 meV
     lambda_tr(  12 )=       0.005360   gamma_tr=       0.037378 meV   omega=     47.8432 meV
     lambda___(  13 )=       0.006030   gamma___=       0.049463 meV   omega=     51.8880 meV
     lambda_tr(  13 )=       0.006353   gamma_tr=       0.052112 meV   omega=     51.8880 meV
     lambda___(  14 )=       0.000000   gamma___=       0.000000 meV   omega=     54.1449 meV
     lambda_tr(  14 )=       0.000000   gamma_tr=       0.000000 meV   omega=     54.1449 meV
     lambda___(  15 )=       0.000000   gamma___=       0.000000 meV   omega=     59.7783 meV
     lambda_tr(  15 )=       0.000000   gamma_tr=       0.000000 meV   omega=     59.7783 meV
     lambda___(  16 )=       0.003982   gamma___=       0.046105 meV   omega=     61.6449 meV
     lambda_tr(  16 )=       0.002487   gamma_tr=       0.028791 meV   omega=     61.6449 meV
     lambda___(  17 )=       0.003963   gamma___=       0.049277 meV   omega=     63.8876 meV
     lambda_tr(  17 )=       0.000761   gamma_tr=       0.009467 meV   omega=     63.8876 meV
     lambda___(  18 )=       0.000000   gamma___=       0.000000 meV   omega=     67.3634 meV
     lambda_tr(  18 )=       0.000000   gamma_tr=       0.000000 meV   omega=     67.3634 meV
     lambda___(  19 )=       0.007601   gamma___=       0.152915 meV   omega=     81.2596 meV
     lambda_tr(  19 )=       0.007955   gamma_tr=       0.160035 meV   omega=     81.2596 meV
     lambda___(  20 )=       0.011120   gamma___=       0.260224 meV   omega=     87.6405 meV
     lambda_tr(  20 )=       0.011375   gamma_tr=       0.266197 meV   omega=     87.6405 meV
     lambda___(  21 )=       0.010408   gamma___=       0.275701 meV   omega=     93.2440 meV
     lambda_tr(  21 )=       0.005340   gamma_tr=       0.141442 meV   omega=     93.2440 meV
     lambda___(  22 )=       0.000514   gamma___=       0.019465 meV   omega=    111.5262 meV
     lambda_tr(  22 )=       0.000485   gamma_tr=       0.018377 meV   omega=    111.5262 meV
     lambda___(  23 )=       0.003058   gamma___=       0.142479 meV   omega=    123.6682 meV
     lambda_tr(  23 )=       0.002657   gamma_tr=       0.123810 meV   omega=    123.6682 meV
     lambda___(  24 )=       0.000389   gamma___=       0.020963 meV   omega=    133.0403 meV
     lambda_tr(  24 )=       0.000402   gamma_tr=       0.021701 meV   omega=    133.0403 meV
     lambda___( tot )=     -18.305491
     lambda_tr( tot )=     -42.948112
     -------------------------------------------------------------------


     Number of (k,k+q) pairs on the Fermi surface:    19600 out of    19600


     ismear =     1 iq =       5 coord.:   0.00000  0.05714  0.00000 wt:   0.00020 Temp:    7.000K
     -------------------------------------------------------------------
     lambda___(   1 )=      -0.000032   gamma___=      -0.000000 meV   omega=      1.2095 meV
     lambda_tr(   1 )=      -0.000011   gamma_tr=      -0.000000 meV   omega=      1.2095 meV
     lambda___(   2 )=     -14.913291   gamma___=      -0.272675 meV   omega=      2.4498 meV
     lambda_tr(   2 )=     -36.878616   gamma_tr=      -0.674289 meV   omega=      2.4498 meV
     lambda___(   3 )=      -3.554377   gamma___=      -0.152411 meV   omega=      3.7516 meV
     lambda_tr(   3 )=      -6.162021   gamma_tr=      -0.264227 meV   omega=      3.7516 meV
     lambda___(   4 )=       0.000000   gamma___=       0.000000 meV   omega=      9.1256 meV
     lambda_tr(   4 )=       0.000000   gamma_tr=       0.000000 meV   omega=      9.1256 meV
     lambda___(   5 )=       0.000000   gamma___=       0.000000 meV   omega=     18.4771 meV
     lambda_tr(   5 )=       0.000000   gamma_tr=       0.000000 meV   omega=     18.4771 meV
     lambda___(   6 )=       0.035087   gamma___=       0.051689 meV   omega=     21.9896 meV
     lambda_tr(   6 )=      -0.017639   gamma_tr=      -0.025986 meV   omega=     21.9896 meV
     lambda___(   7 )=       0.037339   gamma___=       0.075950 meV   omega=     25.8385 meV
     lambda_tr(   7 )=       0.022768   gamma_tr=       0.046311 meV   omega=     25.8385 meV
     lambda___(   8 )=       0.000000   gamma___=       0.000000 meV   omega=     31.6152 meV
     lambda_tr(   8 )=       0.000000   gamma_tr=       0.000000 meV   omega=     31.6152 meV
     lambda___(   9 )=       0.000000   gamma___=       0.000000 meV   omega=     33.1931 meV
     lambda_tr(   9 )=       0.000000   gamma_tr=       0.000000 meV   omega=     33.1931 meV
     lambda___(  10 )=       0.004144   gamma___=       0.024729 meV   omega=     44.2563 meV
     lambda_tr(  10 )=       0.001832   gamma_tr=       0.010930 meV   omega=     44.2563 meV
     lambda___(  11 )=       0.003724   gamma___=       0.025626 meV   omega=     47.5218 meV
     lambda_tr(  11 )=       0.002920   gamma_tr=       0.020088 meV   omega=     47.5218 meV
     lambda___(  12 )=       0.007052   gamma___=       0.049182 meV   omega=     47.8432 meV
     lambda_tr(  12 )=       0.005337   gamma_tr=       0.037218 meV   omega=     47.8432 meV
     lambda___(  13 )=       0.006028   gamma___=       0.049450 meV   omega=     51.8880 meV
     lambda_tr(  13 )=       0.006350   gamma_tr=       0.052088 meV   omega=     51.8880 meV
     lambda___(  14 )=       0.000000   gamma___=       0.000000 meV   omega=     54.1449 meV
     lambda_tr(  14 )=       0.000000   gamma_tr=       0.000000 meV   omega=     54.1449 meV
     lambda___(  15 )=       0.000000   gamma___=       0.000000 meV   omega=     59.7783 meV
     lambda_tr(  15 )=       0.000000   gamma_tr=       0.000000 meV   omega=     59.7783 meV
     lambda___(  16 )=       0.003979   gamma___=       0.046072 meV   omega=     61.6449 meV
     lambda_tr(  16 )=       0.002484   gamma_tr=       0.028757 meV   omega=     61.6449 meV
     lambda___(  17 )=       0.003961   gamma___=       0.049251 meV   omega=     63.8876 meV
     lambda_tr(  17 )=       0.000759   gamma_tr=       0.009433 meV   omega=     63.8876 meV
     lambda___(  18 )=       0.000000   gamma___=       0.000000 meV   omega=     67.3634 meV
     lambda_tr(  18 )=       0.000000   gamma_tr=       0.000000 meV   omega=     67.3634 meV
     lambda___(  19 )=       0.007599   gamma___=       0.152882 meV   omega=     81.2596 meV
     lambda_tr(  19 )=       0.007950   gamma_tr=       0.159944 meV   omega=     81.2596 meV
     lambda___(  20 )=       0.011123   gamma___=       0.260294 meV   omega=     87.6405 meV
     lambda_tr(  20 )=       0.011385   gamma_tr=       0.266422 meV   omega=     87.6405 meV
     lambda___(  21 )=       0.010406   gamma___=       0.275643 meV   omega=     93.2440 meV
     lambda_tr(  21 )=       0.005342   gamma_tr=       0.141496 meV   omega=     93.2440 meV
     lambda___(  22 )=       0.000514   gamma___=       0.019475 meV   omega=    111.5262 meV
     lambda_tr(  22 )=       0.000485   gamma_tr=       0.018379 meV   omega=    111.5262 meV
     lambda___(  23 )=       0.003057   gamma___=       0.142448 meV   omega=    123.6682 meV
     lambda_tr(  23 )=       0.002655   gamma_tr=       0.123713 meV   omega=    123.6682 meV
     lambda___(  24 )=       0.000389   gamma___=       0.020967 meV   omega=    133.0403 meV
     lambda_tr(  24 )=       0.000403   gamma_tr=       0.021705 meV   omega=    133.0403 meV
     lambda___( tot )=     -18.333297
     lambda_tr( tot )=     -42.987619
     -------------------------------------------------------------------


     Number of (k,k+q) pairs on the Fermi surface:    19600 out of    19600


===================================================================================
=   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
=   PID 10780 RUNNING AT labphems04-HP-ProDesk-400-G4-MT
=   EXIT CODE: 139
=   CLEANING UP REMAINING PROCESSES
=   YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
===================================================================================
YOUR APPLICATION TERMINATED WITH THE EXIT STRING: Segmentation fault (signal 11)
This typically refers to a problem with your application.
Please see the FAQ page for debugging suggestions

Best regards sir

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