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doubled imaginary dielectric function output with ISMEAR=-5 and ISPIN=1

Last post by martin.schlipf « Tue Nov 09, 2021 7:48 am
Replies: 5
by bonan_zhu » Fri Oct 22, 2021 11:46 am

5 Replies

20421 Views

Last post by martin.schlipf
Tue Nov 09, 2021 7:48 am
GW calc error - the frequency range is not sufficient

Last post by martin.schlipf « Fri Nov 05, 2021 1:24 pm
Replies: 5
by pnikacevic » Fri Oct 22, 2021 8:07 am

5 Replies

18241 Views

Last post by martin.schlipf
Fri Nov 05, 2021 1:24 pm
Ionic contribution to the macroscopic polarization

Last post by chengcheng_xiao1 « Thu Nov 04, 2021 3:48 pm
Replies: 3
by chengcheng_xiao1 » Sat May 22, 2021 10:17 am

3 Replies

18917 Views

Last post by chengcheng_xiao1
Thu Nov 04, 2021 3:48 pm
not displayed electronic dipole moment value

Last post by martin.schlipf « Thu Nov 04, 2021 2:21 pm
Replies: 3
by fei_wang3 » Thu Nov 04, 2021 12:19 pm

3 Replies

13080 Views

Last post by martin.schlipf
Thu Nov 04, 2021 2:21 pm
Problem with running an input

Last post by martin.schlipf « Tue Oct 26, 2021 7:44 pm
Replies: 1
by piotr_szkudlarek » Tue Oct 26, 2021 6:03 pm

1 Replies

11692 Views

Last post by martin.schlipf
Tue Oct 26, 2021 7:44 pm
Problem with VASP6

Last post by andreas.singraber « Mon Oct 04, 2021 2:09 pm
Replies: 11
by suyeon_ju » Tue Jun 02, 2020 12:24 pm

11 Replies

35293 Views

Last post by andreas.singraber
Mon Oct 04, 2021 2:09 pm
LWANNIER90 with KSPACING.....internal error in: mkkpoints_charge.F

Last post by ferenc_karsai « Mon Sep 27, 2021 8:54 am
Replies: 5
by preston_vargas » Fri Sep 10, 2021 7:20 pm

5 Replies

19362 Views

Last post by ferenc_karsai
Mon Sep 27, 2021 8:54 am
Incorrect pressure at energy minimum with rVV10

Last post by martin.schlipf « Mon Sep 13, 2021 8:21 am
Replies: 4
by aaron_kaplan1 » Thu Jun 10, 2021 9:01 pm

4 Replies

18267 Views

Last post by martin.schlipf
Mon Sep 13, 2021 8:21 am
Crash when computing MMN with NCORE>1

Last post by henrique_miranda « Wed Jul 28, 2021 5:39 pm
Replies: 3
by ashwin_r » Wed Jul 21, 2021 2:50 pm

3 Replies

16249 Views

Last post by henrique_miranda
Wed Jul 28, 2021 5:39 pm
SIGSEGV in vasp 5.4.4 on line 808 of hamil.F

Last post by craig_plaisance1 « Thu Jul 22, 2021 7:57 pm
Replies: 2
by craig_plaisance1 » Wed Jul 21, 2021 7:06 pm

2 Replies

13665 Views

Last post by craig_plaisance1
Thu Jul 22, 2021 7:57 pm
WAVEDERF depends on NCORE/NPAR?

Last post by henrique_miranda « Tue Jul 20, 2021 8:01 am
Replies: 2
by aohara » Thu Jul 15, 2021 3:07 am

2 Replies

14830 Views

Last post by henrique_miranda
Tue Jul 20, 2021 8:01 am
Hang MPI process when steps in wannier_run

Last post by martin.schlipf « Thu Jun 24, 2021 1:39 pm
Replies: 1
by zongxiang_hu » Thu Jun 24, 2021 1:00 pm

1 Replies

10144 Views

Last post by martin.schlipf
Thu Jun 24, 2021 1:39 pm
ISYM >= 0 and LOCPROJ

Last post by martin.schlipf « Tue Jun 22, 2021 8:07 am
Replies: 2
by hnourse » Mon Jun 21, 2021 2:07 am

2 Replies

13559 Views

Last post by martin.schlipf
Tue Jun 22, 2021 8:07 am
error in N pseudopotential

Last post by martin.schlipf « Mon Jun 21, 2021 7:33 am
Replies: 5
by guoxingmiao » Thu Jun 17, 2021 12:27 pm

5 Replies

13038 Views

Last post by martin.schlipf
Mon Jun 21, 2021 7:33 am
Warning: ieee_invalid

Last post by martin.schlipf « Fri Jun 11, 2021 7:01 am
Replies: 1
by tobias_kloeffel » Thu Jun 10, 2021 4:49 pm

1 Replies

10638 Views

Last post by martin.schlipf
Fri Jun 11, 2021 7:01 am
Lack of translational symmetry using using Be_sv with PBE

Last post by martin.schlipf « Thu Jun 10, 2021 8:08 am
Replies: 2
by svb » Wed Aug 28, 2019 12:59 am

2 Replies

11572 Views

Last post by martin.schlipf
Thu Jun 10, 2021 8:08 am
Hanging MPI processes when writing MMN and WANPROJ files

Last post by martin.schlipf « Fri Jun 04, 2021 6:38 am
Replies: 1
by benoit » Thu Jun 03, 2021 4:35 pm

1 Replies

8057 Views

Last post by martin.schlipf
Fri Jun 04, 2021 6:38 am
Segmentation fault in MLWF_TRAFO_RUN of mlwf.F

Last post by henrique_miranda « Fri May 28, 2021 9:06 am
Replies: 1
by satoru_matsuishi2 » Thu May 27, 2021 11:33 am

1 Replies

6673 Views

Last post by henrique_miranda
Fri May 28, 2021 9:06 am
OSZICAR not updating until the end of the calculation

Last post by naveen_agrawal1 « Thu Apr 29, 2021 10:03 pm
Replies: 3
by naveen_agrawal1 » Tue Mar 30, 2021 5:27 am

3 Replies

9918 Views

Last post by naveen_agrawal1
Thu Apr 29, 2021 10:03 pm
Convergence criterion of climb NEB calculation

Last post by can_liu « Wed Apr 14, 2021 7:01 am
Replies: 4
by can_liu » Wed Mar 31, 2021 8:51 am

4 Replies

11642 Views

Last post by can_liu
Wed Apr 14, 2021 7:01 am

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