thanks for your reply
Actually, one of individual spread was high around 14 (ang. square ) . I am doing it with changing some parameters. I will let you know, once it is done.
Search found 18 matches
- Wed Apr 25, 2018 5:32 am
- Forum: Running the code
- Topic: Segmentation fault (11)
- Replies: 16
- Views: 13665
- Wed Apr 18, 2018 6:15 pm
- Forum: Running the code
- Topic: Segmentation fault (11)
- Replies: 16
- Views: 13665
Re: Segmentation fault (11)
Dear users, I am using epw.x to examine electron phonon coupling in PbI2. already I have gone through tutorial for SiC. But for PbI2 ,as soon as the wannier part gets completed, I get an error "segmentation fault occurred " . I am giving my epw input file here. can you please help me to fi...
- Fri Sep 29, 2017 9:43 am
- Forum: Running the code
- Topic: Running EPW for 2D semiconductors
- Replies: 5
- Views: 6501
Re: Running EPW for 2D semiconductors
sir, thanks for your help, the error was there only , I was not using those flags of SOC. After that I did this calculation to calculate electron relaxation time for 2D PbI2, just after it does wannierisation part, it gives me error "segmentation fault". Basically I did a phonon calculatio...
- Tue Sep 26, 2017 7:57 am
- Forum: Running the code
- Topic: Running EPW for 2D semiconductors
- Replies: 5
- Views: 6501
Re: Running EPW for 2D semiconductors
Hi users, I was running EPW to calculate electron relaxation time for PbI2 with incorporating SOC. after it writes in output file =================================================================== irreducible q point # 1 =================================================================== Symmetries...
- Mon Aug 07, 2017 6:12 am
- Forum: Running the code
- Topic: Error:coarse k-mesh needs to be strictly positive in 1st BZ
- Replies: 17
- Views: 16674
Re: Error:coarse k-mesh needs to be strictly positive in 1st
dear users, I am also getting the same problem for my 2d PbI2 system. and yes , my k points in nscf output file and input file are different. I tried your suggestion nosym = .true. , but It didn't work. I am giving you my epw input file. &inputepw prefix = 'pbi2' amass(1)=207.2 amass(2)=126.9044...
- Wed Jul 19, 2017 8:29 am
- Forum: Running the code
- Topic: Electron phonon coupling convergence
- Replies: 11
- Views: 11105
Re: Electron phonon coupling convergence
hi users,
I am new to this calculation. can you tell me, how do you decide values of wmax_specfun , wmin_specfun , nw_specfun , nbndskip, nbndsub, Dis_win_max and Dis_froj_min ?
thanks
I am new to this calculation. can you tell me, how do you decide values of wmax_specfun , wmin_specfun , nw_specfun , nbndskip, nbndsub, Dis_win_max and Dis_froj_min ?
thanks
- Thu Jul 13, 2017 4:01 pm
- Forum: Running the code
- Topic: Problem in epw.x run
- Replies: 20
- Views: 17536
Re: Problem in epw.x run
dear sir, in the very begining of the calculation. I am getting this error. may I have explanation of all parameter of epw input file to calculate electron linewidth.
thank you
thank you
- Thu Jul 13, 2017 7:52 am
- Forum: Running the code
- Topic: Problem in epw.x run
- Replies: 20
- Views: 17536
Re: Problem in epw.x run
hi EPW users
I am new to this calculation, I am doing it to calculate electron line width for cdI2 monolayer . actually , when I am running epw.x, it's giving me error "segmentation fault". can anybody help me to get ot of it ?
I am new to this calculation, I am doing it to calculate electron line width for cdI2 monolayer . actually , when I am running epw.x, it's giving me error "segmentation fault". can anybody help me to get ot of it ?