Eliashberg function output related issue
Posted: Sun May 27, 2018 4:09 pm
Dear Dr. Samuel Ponc,
After the completion of epw.in, I am not getting the correct result of a2f(eliashberg function). I have mentioned my input code below.
--
&inputepw
prefix = 'calc',
amass(1) = 12.0107
outdir = './'
elph = .true.
kmaps = .false.
epbwrite = .true.
epbread = .false.
epwwrite = .true.
epwread = .false.
nbndsub = 8
nbndskip = 0
wannierize = .true.
num_iter = 300
dis_win_max = 11
dis_froz_max= 1
dis_win_min = -3
dis_froz_min= -3
proj(1) = 'random'
system_2d = .true.
wdata(1) = 'bands_plot = .true.'
wdata(2) = 'begin kpoint_path'
wdata(3) = 'G 0.00 0.00 0.00 M 0.50 0.00 0.00'
wdata(4) = 'M 0.50 0.00 0.00 K 0.33 0.33 0.50'
wdata(5) = 'K 0.33 0.33 0.50 G 0.00 0.00 0.00'
wdata(6) = 'end kpoint_path'
wdata(7) = 'bands_plot_format = gnuplot'
iverbosity = 0
elecselfen = .true.
phonselfen = .true.
a2f = .true.
delta_approx= .true.
parallel_k = .true.
parallel_q = .false.
fsthick = 4 ! eV
eptemp = 300 ! K
degaussw = 0.1 ! eV
degaussq = 0.1 ! meV
dvscf_dir = './save'
filukk = './calc.ukk'
nk1 = 16
nk2 = 16
nk3 = 1
nq1 = 8
nq2 = 8
nq3 = 1
nqf1 = 20
nqf2 = 20
nqf3 = 1
nkf1 = 20
nkf2 = 20
nkf3 = 1
/
34 cartesian
0.000000000 0.000000000 0.000000000
0.000000000 0.144337567 0.000000000
0.000000000 0.288675135 0.000000000
0.000000000 0.433012702 0.000000000
0.000000000 -0.577350269 0.000000000
0.125000000 0.072168784 0.000000000
0.125000000 0.216506351 0.000000000
0.125000000 0.360843918 0.000000000
0.125000000 0.505181486 0.000000000
0.125000000 -0.505181486 0.000000000
0.125000000 -0.360843918 0.000000000
0.125000000 -0.216506351 0.000000000
0.125000000 -0.072168784 0.000000000
0.250000000 0.144337567 0.000000000
0.250000000 0.288675135 0.000000000
0.250000000 0.433012702 0.000000000
0.250000000 0.577350269 0.000000000
0.250000000 -0.433012702 0.000000000
0.250000000 -0.288675135 0.000000000
0.250000000 -0.144337567 0.000000000
0.250000000 0.000000000 0.000000000
0.375000000 0.216506351 0.000000000
0.375000000 0.360843918 0.000000000
0.375000000 0.505181486 0.000000000
0.375000000 0.649519053 0.000000000
0.375000000 -0.360843918 0.000000000
0.375000000 -0.216506351 0.000000000
0.375000000 -0.072168784 0.000000000
0.375000000 0.072168784 0.000000000
-0.500000000 -0.288675135 0.000000000
-0.500000000 -0.144337567 0.000000000
-0.500000000 0.000000000 0.000000000
-0.500000000 0.144337567 0.000000000
-0.500000000 -0.866025404 0.000000000
Please suggest me a way to get the converged result.Why the star printed rows are coming? Please help.
Thanks and regards,
Anindya Bose,
JRF, IIIT ALLAHABAD
After the completion of epw.in, I am not getting the correct result of a2f(eliashberg function). I have mentioned my input code below.
--
&inputepw
prefix = 'calc',
amass(1) = 12.0107
outdir = './'
elph = .true.
kmaps = .false.
epbwrite = .true.
epbread = .false.
epwwrite = .true.
epwread = .false.
nbndsub = 8
nbndskip = 0
wannierize = .true.
num_iter = 300
dis_win_max = 11
dis_froz_max= 1
dis_win_min = -3
dis_froz_min= -3
proj(1) = 'random'
system_2d = .true.
wdata(1) = 'bands_plot = .true.'
wdata(2) = 'begin kpoint_path'
wdata(3) = 'G 0.00 0.00 0.00 M 0.50 0.00 0.00'
wdata(4) = 'M 0.50 0.00 0.00 K 0.33 0.33 0.50'
wdata(5) = 'K 0.33 0.33 0.50 G 0.00 0.00 0.00'
wdata(6) = 'end kpoint_path'
wdata(7) = 'bands_plot_format = gnuplot'
iverbosity = 0
elecselfen = .true.
phonselfen = .true.
a2f = .true.
delta_approx= .true.
parallel_k = .true.
parallel_q = .false.
fsthick = 4 ! eV
eptemp = 300 ! K
degaussw = 0.1 ! eV
degaussq = 0.1 ! meV
dvscf_dir = './save'
filukk = './calc.ukk'
nk1 = 16
nk2 = 16
nk3 = 1
nq1 = 8
nq2 = 8
nq3 = 1
nqf1 = 20
nqf2 = 20
nqf3 = 1
nkf1 = 20
nkf2 = 20
nkf3 = 1
/
34 cartesian
0.000000000 0.000000000 0.000000000
0.000000000 0.144337567 0.000000000
0.000000000 0.288675135 0.000000000
0.000000000 0.433012702 0.000000000
0.000000000 -0.577350269 0.000000000
0.125000000 0.072168784 0.000000000
0.125000000 0.216506351 0.000000000
0.125000000 0.360843918 0.000000000
0.125000000 0.505181486 0.000000000
0.125000000 -0.505181486 0.000000000
0.125000000 -0.360843918 0.000000000
0.125000000 -0.216506351 0.000000000
0.125000000 -0.072168784 0.000000000
0.250000000 0.144337567 0.000000000
0.250000000 0.288675135 0.000000000
0.250000000 0.433012702 0.000000000
0.250000000 0.577350269 0.000000000
0.250000000 -0.433012702 0.000000000
0.250000000 -0.288675135 0.000000000
0.250000000 -0.144337567 0.000000000
0.250000000 0.000000000 0.000000000
0.375000000 0.216506351 0.000000000
0.375000000 0.360843918 0.000000000
0.375000000 0.505181486 0.000000000
0.375000000 0.649519053 0.000000000
0.375000000 -0.360843918 0.000000000
0.375000000 -0.216506351 0.000000000
0.375000000 -0.072168784 0.000000000
0.375000000 0.072168784 0.000000000
-0.500000000 -0.288675135 0.000000000
-0.500000000 -0.144337567 0.000000000
-0.500000000 0.000000000 0.000000000
-0.500000000 0.144337567 0.000000000
-0.500000000 -0.866025404 0.000000000
Please suggest me a way to get the converged result.Why the star printed rows are coming? Please help.
Thanks and regards,
Anindya Bose,
JRF, IIIT ALLAHABAD