EPW Forum

Dear develop:
I have some questions about calculating conductivity. I tried different tags for vme, but I got different conductivity values in epw2.out.
vme = dipole
&inputepw
prefix = 'pb'
outdir = './'
dvscf_dir = './save'

elph = .true.
epbwrite = .true.
epbread = .false.
epwwrite = .true.
epwread = .false.
vme = 'dipole'

nbndsub = 4
bands_skipped = 'exclude_bands = 1-5'
2. vme = wannier
--
&inputepw
prefix = 'pb'
amass(1) = 207.2
outdir = './'
dvscf_dir = './save'

elph = .true.
epbwrite = .true.
epbread = .false.
epwwrite = .true.
epwread = .false.
vme = 'wannier'

nbndsub = 4
bands_skipped = 'exclude_bands = 1-5'
The vme = wannier is also from 2021 epw school and vme = dipole is from 2024 epw school
and this is my cauculation ans
vme = dipole
=============================================================================================
Temp Fermi DOS Population SR Conductivity
[K] [eV] [states/Ry] [carriers per cell] [Ohm.cm]^-1
=============================================================================================

100.000 11.7042 0.12315E+01 0.16983E-14 0.106453E+06 0.435937E-12 0.304026E-11
-0.17764E-14 0.512867E-12 0.106453E+06 -0.102573E-12
-0.77022E-15 0.100122E-11 -0.192325E-12 0.106453E+06
150.000 11.7042 0.12151E+01 0.29698E-14 0.710063E+05 -0.376636E-13 0.517274E-12
0.27756E-16 0.520880E-13 0.710063E+05 -0.504853E-13
-0.66613E-15 0.491631E-12 -0.633070E-13 0.710063E+05
200.000 11.7046 0.15832E+01 -0.30809E-14 0.540361E+05 0.128217E-13 0.500446E-12
0.44409E-15 0.112190E-13 0.540361E+05 -0.112190E-13
0.30531E-14 0.505254E-12 -0.112190E-13 0.540361E+05
250.000 11.7050 0.20004E+01 0.83268E-16 0.431243E+05 0.657111E-13 -0.187516E-12
-0.44409E-15 0.104176E-12 0.431243E+05 -0.160271E-13
0.83266E-15 -0.350993E-12 -0.320532E-14 0.431243E+05
300.000 11.7051 0.22215E+01 -0.66613E-15 0.354524E+05 0.224371E-13 0.905515E-13
0.22204E-15 0.160255E-13 0.354524E+05 0.641005E-14
-0.77717E-15 0.804485E-15 0.121805E-12 0.354524E+05
350.000 11.7051 0.22479E+01 -0.10269E-14 0.298676E+05 -0.560948E-13 0.167092E-12
0.00000E+00 0.272460E-13 0.298676E+05 0.304515E-13
0.44368E-15 -0.178295E-12 0.641083E-14 0.298676E+05
400.000 11.7051 0.21747E+01 0.69329E-15 0.257180E+05 -0.336506E-13 0.272905E-12
0.22204E-15 -0.601016E-14 0.257180E+05 -0.280474E-14
0.14717E-14 0.282509E-12 0.240469E-13 0.257180E+05
450.000 11.7050 0.20829E+01 -0.12770E-14 0.225781E+05 -0.108183E-13 -0.163476E-12
0.00000E+00 0.112190E-13 0.225781E+05 0.172291E-13
-0.19451E-15 -0.163476E-12 0.164278E-13 0.225781E+05
500.000 11.7050 0.20179E+01 -0.11375E-14 0.201556E+05 0.642336E-14 -0.280875E-12
-0.11102E-15 -0.100169E-13 0.201556E+05 -0.164278E-13
0.41568E-15 -0.171139E-12 0.256559E-13 0.201556E+05

vme = wannier

=============================================================================================
BTE in the self-energy relaxation time approximation (SERTA)
=============================================================================================

=============================================================================================
Temp Fermi DOS Population SR Conductivity
[K] [eV] [states/Ry] [carriers per cell] [Ohm.cm]^-1
=============================================================================================

100.000 11.7042 0.12315E+01 -0.53846E-14 0.199167E+06 0.384650E-12 -0.216686E-11
0.00000E+00 0.179503E-12 0.199167E+06 -0.205147E-12
-0.55511E-14 -0.389779E-11 -0.487223E-12 0.199167E+06
150.000 11.7042 0.12151E+01 -0.36637E-14 0.132838E+06 -0.512867E-13 0.297463E-11
0.00000E+00 -0.512867E-13 0.132838E+06 0.512867E-13
0.16653E-14 0.297463E-11 0.512867E-13 0.132838E+06
200.000 11.7046 0.15833E+01 -0.29976E-14 0.101476E+06 -0.153857E-12 -0.910345E-12
-0.88818E-15 0.256436E-12 0.101476E+06 -0.512835E-13
0.52181E-14 -0.108985E-11 -0.256402E-13 0.101476E+06
250.000 11.7050 0.20004E+01 -0.12215E-14 0.812839E+05 -0.256433E-13 -0.256459E-12
-0.44409E-15 0.000000E+00 0.812839E+05 0.769300E-13
-0.11081E-15 -0.538536E-12 0.102573E-12 0.812839E+05
300.000 11.7051 0.22216E+01 -0.66527E-15 0.670209E+05 -0.256433E-13 0.185814E-12
-0.22204E-15 0.897266E-13 0.670209E+05 0.640833E-13
0.15543E-14 -0.249922E-12 -0.512867E-13 0.670209E+05
350.000 11.7051 0.22480E+01 -0.55511E-15 0.566130E+05 0.256433E-13 0.192438E-12
0.22204E-15 0.115395E-12 0.566130E+05 0.128217E-13
0.66700E-15 -0.832281E-13 -0.102573E-12 0.566130E+05
400.000 11.7051 0.21748E+01 0.55945E-16 0.488832E+05 0.128217E-13 0.162875E-12
-0.22204E-15 -0.128217E-13 0.488832E+05 0.641083E-13
-0.94499E-15 0.316735E-12 -0.128217E-13 0.488832E+05
450.000 11.7050 0.20830E+01 -0.53083E-15 0.430491E+05 -0.963628E-13 -0.204721E-12
-0.11102E-15 -0.577977E-13 0.430491E+05 0.320542E-13
0.17816E-14 -0.180280E-12 0.447757E-13 0.430491E+05
500.000 11.7050 0.20180E+01 -0.28623E-16 0.385641E+05 -0.192325E-13 -0.400276E-12
-0.11102E-15 0.320542E-13 0.385641E+05 0.705192E-13
-0.11475E-14 -0.497641E-12 0.448758E-13 0.385641E+05

I want to ask how can I fix this problem?
Thanks

Hi,

It's very hard to see the difference in the output. Can you provide the standard output file (epw.out) provided by EPW?

Best regards,
Sabya.

I fix this answer thx.