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phonon calculation with SOC error

Last post by simba2828 « Sat Nov 25, 2023 11:58 am

by simba2828 » Sat Nov 25, 2023 11:58 am

0 Replies

67929 Views

Last post by simba2828
Sat Nov 25, 2023 11:58 am
Problem with calculating polaron equation

Last post by jlb « Fri Nov 24, 2023 1:46 pm
Replies: 3
by pkarna » Tue Nov 14, 2023 9:06 pm

3 Replies

32670 Views

Last post by jlb
Fri Nov 24, 2023 1:46 pm
QE7.2 problem

Last post by LiuHD « Mon Nov 20, 2023 9:17 am
Replies: 2
by LiuHD » Sat Nov 18, 2023 4:58 am

2 Replies

20097 Views

Last post by LiuHD
Mon Nov 20, 2023 9:17 am
Interpreting inv_taucb.fmt file for scattering rate calculations

Last post by srp_001 « Sat Nov 18, 2023 6:16 pm

by srp_001 » Sat Nov 18, 2023 6:16 pm

0 Replies

46363 Views

Last post by srp_001
Sat Nov 18, 2023 6:16 pm
Invalid memory reference -- double free or corruption (out) while doing MgB2 1x1x2 supercell calculation

Last post by al7 « Mon Nov 13, 2023 1:05 am

by al7 » Mon Nov 13, 2023 1:05 am

0 Replies

57644 Views

Last post by al7
Mon Nov 13, 2023 1:05 am
elphon_shuffle_wrap : error # 1: Problem with modes file

Last post by stiwari « Sun Nov 12, 2023 11:26 pm
Replies: 1
by srp_001 » Wed Nov 08, 2023 1:18 am

1 Replies

15331 Views

Last post by stiwari
Sun Nov 12, 2023 11:26 pm
inconsistent nscf and elph k-grids

Last post by hpaudya1 « Tue Oct 31, 2023 2:33 pm
Replies: 5
by simba2828 » Sun Oct 29, 2023 5:06 pm

5 Replies

37698 Views

Last post by hpaudya1
Tue Oct 31, 2023 2:33 pm
Tutorial B-doped Diamond phonon linewidth value error

Last post by NFH « Fri Oct 27, 2023 5:42 am
Replies: 1
by Aa410733031 » Sat Jul 08, 2023 11:45 am

1 Replies

22902 Views

Last post by NFH
Fri Oct 27, 2023 5:42 am
Diamond example - phonon linewidths - factor discrepancy

Last post by NFH « Thu Oct 26, 2023 5:59 pm

by NFH » Thu Oct 26, 2023 5:59 pm

0 Replies

58289 Views

Last post by NFH
Thu Oct 26, 2023 5:59 pm
Difficulty using ZG displacements with external force constants

Last post by mzach « Wed Oct 25, 2023 10:30 pm
Replies: 1
by physopholy » Wed Oct 25, 2023 4:47 pm

1 Replies

13263 Views

Last post by mzach
Wed Oct 25, 2023 10:30 pm
Polaron: Error in getting the polaron wave function in real space

Last post by Qiaolin « Sun Oct 15, 2023 11:05 am
Replies: 2
by Qiaolin » Tue Oct 03, 2023 1:06 pm

2 Replies

15840 Views

Last post by Qiaolin
Sun Oct 15, 2023 11:05 am
Problems with EPW phonon dispersion

Last post by stiwari « Sat Oct 14, 2023 7:42 pm
Replies: 1
by jhein » Thu Oct 12, 2023 11:27 am

1 Replies

14501 Views

Last post by stiwari
Sat Oct 14, 2023 7:42 pm
Weird phonon linewidth and How to plot phonon linewidth on top of phonon bands

Last post by simba2828 « Sun Sep 24, 2023 5:01 pm

by simba2828 » Sun Sep 24, 2023 5:01 pm

0 Replies

60778 Views

Last post by simba2828
Sun Sep 24, 2023 5:01 pm
system_2d flag in EPW is not working

Last post by stiwari « Sat Sep 23, 2023 9:18 pm
Replies: 2
by simba2828 » Tue Mar 07, 2023 4:42 pm

2 Replies

20651 Views

Last post by stiwari
Sat Sep 23, 2023 9:18 pm
Inconsistent behavior of quasiparticle DOS with increasing temperature

Last post by simba2828 « Thu Sep 21, 2023 10:07 am
Replies: 4
by simba2828 » Tue Sep 12, 2023 6:58 am

4 Replies

25553 Views

Last post by simba2828
Thu Sep 21, 2023 10:07 am
nsmear, ismear and default ph linewidth output

Last post by NFH « Tue Sep 19, 2023 10:08 am

by NFH » Tue Sep 19, 2023 10:08 am

0 Replies

59220 Views

Last post by NFH
Tue Sep 19, 2023 10:08 am
The calculation repeatedly terminates.

Last post by stiwari « Fri Sep 15, 2023 8:01 pm
Replies: 1
by prerna » Wed Sep 06, 2023 1:38 pm

1 Replies

12896 Views

Last post by stiwari
Fri Sep 15, 2023 8:01 pm
Neglecting acoustic sum rule

Last post by NFH « Thu Sep 14, 2023 7:09 am
Replies: 2
by NFH » Wed Aug 30, 2023 1:25 pm

2 Replies

35909 Views

Last post by NFH
Thu Sep 14, 2023 7:09 am
The part of 'Solve anisotropic Eliashberg equations' is so slow

Last post by Yao Wei « Tue Sep 12, 2023 1:41 pm
Replies: 2
by Yao Wei » Sat Apr 29, 2023 8:57 pm

2 Replies

17685 Views

Last post by Yao Wei
Tue Sep 12, 2023 1:41 pm
The electron band using Wannier code look very different that from EPW code

Last post by hpaudya1 « Thu Aug 17, 2023 2:27 pm
Replies: 2
by Wenjiang » Sat Aug 12, 2023 12:39 am

2 Replies

26088 Views

Last post by hpaudya1
Thu Aug 17, 2023 2:27 pm
NaN sup. gap in Pade approximation

Last post by hpaudya1 « Thu Aug 17, 2023 2:23 pm
Replies: 1
by timonmosko » Sun Aug 13, 2023 1:37 pm

1 Replies

21181 Views

Last post by hpaudya1
Thu Aug 17, 2023 2:23 pm
Electron-Phonon coupling matrix for conduction bands

Last post by stiwari « Mon Aug 14, 2023 5:30 pm
Replies: 1
by Patrick_1396 » Sun Aug 13, 2023 9:44 pm

1 Replies

18780 Views

Last post by stiwari
Mon Aug 14, 2023 5:30 pm
Error in routine elphon_shuffle_wrap (1)

Last post by stiwari « Mon Aug 14, 2023 5:25 pm
Replies: 1
by Dr. Anwar Hossain » Sun Aug 13, 2023 3:02 am

1 Replies

16787 Views

Last post by stiwari
Mon Aug 14, 2023 5:25 pm
Electron phonon matrix element for all bands

Last post by Patrick_1396 « Fri Aug 11, 2023 4:23 pm
Replies: 2
by rvatanme » Tue Apr 26, 2022 4:02 pm

2 Replies

5736 Views

Last post by Patrick_1396
Fri Aug 11, 2023 4:23 pm
The electron band using Wannier code look very different from EPW code

Last post by Wenjiang « Fri Aug 11, 2023 4:16 pm

by Wenjiang » Fri Aug 11, 2023 4:16 pm

0 Replies

59046 Views

Last post by Wenjiang
Fri Aug 11, 2023 4:16 pm

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