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Error: Problem with modes file

Last post by adenchfi « Sun Jan 28, 2024 9:52 pm
Replies: 2
by srp_001 » Thu Nov 09, 2023 5:15 am

2 Replies

34419 Views

Last post by adenchfi
Sun Jan 28, 2024 9:52 pm
File pb.dyn0.xml not found

Last post by priyo « Fri Jan 26, 2024 8:30 am

by priyo » Fri Jan 26, 2024 8:30 am

0 Replies

37405 Views

Last post by priyo
Fri Jan 26, 2024 8:30 am
crystal_patch.py nowhere to be found

Last post by stiwari « Sun Jan 21, 2024 1:56 am
Replies: 1
by fgoudreault » Wed Jan 17, 2024 8:56 pm

1 Replies

11236 Views

Last post by stiwari
Sun Jan 21, 2024 1:56 am
Gap energy abruptly goes negative at high temperatures

Last post by mxh « Thu Jan 18, 2024 2:49 am
Replies: 12
by CHILLL » Thu Nov 11, 2021 10:08 pm
1

2
12 Replies

59811 Views

Last post by mxh
Thu Jan 18, 2024 2:49 am
$QE/ZG.x < ZG_1.in > ZG_1.out gives error.

Last post by frederik1 « Sat Jan 13, 2024 11:04 am
Replies: 2
by frederik1 » Fri Jan 12, 2024 2:45 pm

2 Replies

10576 Views

Last post by frederik1
Sat Jan 13, 2024 11:04 am
errors in the modeling of scattering rates for h-BN material

Last post by mishchenka « Tue Jan 09, 2024 7:16 pm

by mishchenka » Tue Jan 09, 2024 7:16 pm

0 Replies

47777 Views

Last post by mishchenka
Tue Jan 09, 2024 7:16 pm
ZG_333.in does not finish

Last post by frederik1 « Tue Jan 09, 2024 12:55 pm
Replies: 2
by frederik1 » Sat Jan 06, 2024 11:53 am

2 Replies

25533 Views

Last post by frederik1
Tue Jan 09, 2024 12:55 pm
How to evaluate the memory needed for a computation?

Last post by since2012 « Wed Dec 27, 2023 2:33 am
Replies: 3
by since2012 » Tue Dec 19, 2023 2:35 pm

3 Replies

24599 Views

Last post by since2012
Wed Dec 27, 2023 2:33 am
Epw.x does not continue running

Last post by xym « Fri Dec 22, 2023 5:57 pm

by xym » Fri Dec 22, 2023 5:57 pm

0 Replies

47835 Views

Last post by xym
Fri Dec 22, 2023 5:57 pm
How to include spin-fluctuations in the PH/EPW calculations

Last post by simba2828 « Mon Dec 18, 2023 7:30 am

by simba2828 » Mon Dec 18, 2023 7:30 am

0 Replies

55151 Views

Last post by simba2828
Mon Dec 18, 2023 7:30 am
Why Tc and EPW strength is reduced using SOC

Last post by simba2828 « Sat Dec 16, 2023 1:50 pm

by simba2828 » Sat Dec 16, 2023 1:50 pm

0 Replies

51201 Views

Last post by simba2828
Sat Dec 16, 2023 1:50 pm
The phonons exported by epw cannot match the phonons exported by matdyn.

Last post by stiwari « Wed Dec 13, 2023 4:05 am
Replies: 5
by Yao Wei » Tue Sep 12, 2023 3:23 pm

5 Replies

58315 Views

Last post by stiwari
Wed Dec 13, 2023 4:05 am
Non-symmetric k-point neighbours!

Last post by Sujata « Tue Dec 12, 2023 8:02 am
Replies: 10
by JuniorKanga » Thu Dec 08, 2016 11:08 am
1

2
10 Replies

74782 Views

Last post by Sujata
Tue Dec 12, 2023 8:02 am
slurmstepd: error: Detected 2 oom-kill event(s)

Last post by stiwari « Sat Dec 09, 2023 9:07 pm
Replies: 1
by lixuejie » Wed Dec 06, 2023 11:30 am

1 Replies

29382 Views

Last post by stiwari
Sat Dec 09, 2023 9:07 pm
forrtl: severe (174): SIGSEGV, segmentation fault occurred

Last post by lixuejie « Wed Dec 06, 2023 11:18 am

by lixuejie » Wed Dec 06, 2023 11:18 am

0 Replies

63846 Views

Last post by lixuejie
Wed Dec 06, 2023 11:18 am
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

72211 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

35609 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

22512 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

52236 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

64173 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

17394 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

43277 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

24748 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

63999 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

15438 Views

Last post by mzach
Wed Oct 25, 2023 10:30 pm

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