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Possible bug in mlwf.F of vasp6.3 for non-collinear calculations

Last post by marie-therese.huebsch « Thu Dec 21, 2023 12:05 pm
Replies: 3
by domenico_disante1 » Sun Mar 13, 2022 4:11 am

3 Replies

15215 Views

Last post by marie-therese.huebsch
Thu Dec 21, 2023 12:05 pm
Useless warning, possible patch in future?

Last post by daniel_marchand « Wed Dec 06, 2023 12:43 pm
Replies: 2
by daniel_marchand » Wed Dec 06, 2023 10:22 am

2 Replies

10780 Views

Last post by daniel_marchand
Wed Dec 06, 2023 12:43 pm
Freezing ML_FF select calculations

Last post by ferenc_karsai « Wed Nov 22, 2023 8:52 am
Replies: 9
by julien_steffen » Wed Sep 20, 2023 2:44 pm

9 Replies

35949 Views

Last post by ferenc_karsai
Wed Nov 22, 2023 8:52 am
possible dipole moment bug in VASP 6 for non-orthogonal unit cells

Last post by henrique_miranda « Mon Nov 13, 2023 3:13 pm
Replies: 2
by seongjoojung » Thu Nov 09, 2023 8:21 pm

2 Replies

12641 Views

Last post by henrique_miranda
Mon Nov 13, 2023 3:13 pm
Electronic convergence failures

Last post by marie-therese.huebsch « Mon Nov 06, 2023 7:10 am
Replies: 4
by KWH » Wed Oct 25, 2023 7:22 am

4 Replies

16934 Views

Last post by marie-therese.huebsch
Mon Nov 06, 2023 7:10 am
Date typo in PBE.64 Nd POTCAR Header

Last post by marie-therese.huebsch « Wed Nov 01, 2023 11:24 am
Replies: 1
by marykate_ » Wed Oct 25, 2023 12:42 pm

1 Replies

10347 Views

Last post by marie-therese.huebsch
Wed Nov 01, 2023 11:24 am
LDISENTANGLED instead of LDISENTANGLE

Last post by marie-therese.huebsch « Mon Oct 30, 2023 12:34 pm
Replies: 1
by maximilian_merkel1 » Wed Oct 25, 2023 12:15 pm

1 Replies

10617 Views

Last post by marie-therese.huebsch
Mon Oct 30, 2023 12:34 pm
Error while calculating elastic tensor with IBRION 6, ISIF 3

Last post by barshab « Wed Oct 25, 2023 10:56 am
Replies: 8
by barshab » Thu Oct 19, 2023 11:06 am

8 Replies

24708 Views

Last post by barshab
Wed Oct 25, 2023 10:56 am
incorrect result when I use the CI-NEB compiled with vtst

Last post by martin.schlipf « Thu Oct 19, 2023 12:59 pm
Replies: 2
by ljzhang123 » Tue Oct 13, 2015 4:34 am

2 Replies

17092 Views

Last post by martin.schlipf
Thu Oct 19, 2023 12:59 pm
Tetrahedron method with small number of kpts

Last post by martin.schlipf « Mon Oct 16, 2023 12:13 pm
Replies: 1
by andrew_rosen » Fri Oct 06, 2023 6:38 pm

1 Replies

18302 Views

Last post by martin.schlipf
Mon Oct 16, 2023 12:13 pm
SET_INDPW_FULL: insufficient memory

Last post by martin.schlipf « Fri Oct 13, 2023 8:39 am
Replies: 1
by verena_neufeld1 » Thu Oct 12, 2023 6:01 pm

1 Replies

12202 Views

Last post by martin.schlipf
Fri Oct 13, 2023 8:39 am
individual patch files for bugs

Last post by martin.schlipf « Thu Oct 12, 2023 7:28 am
Replies: 1
by jianli_shao1 » Thu Oct 12, 2023 1:29 am

1 Replies

11180 Views

Last post by martin.schlipf
Thu Oct 12, 2023 7:28 am
Strange results from Nvidia compiler: vasp 6.4.2

Last post by sergey_lisenkov1 « Tue Oct 10, 2023 1:43 pm
Replies: 6
by sergey_lisenkov1 » Fri Sep 22, 2023 1:19 pm

6 Replies

38343 Views

Last post by sergey_lisenkov1
Tue Oct 10, 2023 1:43 pm
Very strange crash during geometry optimization but not MD (same POSCAR)

Last post by alex « Mon Oct 09, 2023 12:31 pm
Replies: 1
by jchapmanbu » Fri Oct 06, 2023 12:55 pm

1 Replies

17830 Views

Last post by alex
Mon Oct 09, 2023 12:31 pm
contradict results of the magnetic moment as the ALGO = All

Last post by merzuk.kaltak « Mon Sep 25, 2023 1:26 pm
Replies: 6
by Kun Tao » Tue Sep 19, 2023 9:48 am

6 Replies

27148 Views

Last post by merzuk.kaltak
Mon Sep 25, 2023 1:26 pm
internal ERROR RSPHER: running out of buffer encountered in geometry opitmization

Last post by merzuk.kaltak « Wed Sep 20, 2023 7:57 am
Replies: 1
by mwlazlo » Thu Sep 14, 2023 8:13 am

1 Replies

16323 Views

Last post by merzuk.kaltak
Wed Sep 20, 2023 7:57 am
Contradiction between PROCAR and band-decomposed orbitals.

Last post by marco_infantino « Mon Sep 18, 2023 1:14 pm
Replies: 12
by olson139 » Sat Jun 30, 2012 11:14 am

12 Replies

74375 Views

Last post by marco_infantino
Mon Sep 18, 2023 1:14 pm
internal error in: wave.F at line: 709

Last post by merzuk.kaltak « Mon Sep 18, 2023 7:49 am
Replies: 1
by zrqustc » Mon Sep 18, 2023 5:11 am

1 Replies

15107 Views

Last post by merzuk.kaltak
Mon Sep 18, 2023 7:49 am
Specifying both GGA and meta-GGA tags in INCAR

Last post by fabien_tran1 « Fri Sep 08, 2023 7:04 pm
Replies: 3
by aaron_kaplan2 » Wed Aug 30, 2023 6:19 pm

3 Replies

37309 Views

Last post by fabien_tran1
Fri Sep 08, 2023 7:04 pm
Message of " Sub-Space-Matrix is not hermitian "

Last post by alireza_rezvani « Tue Aug 29, 2023 11:13 pm
Replies: 18
by TING QIN » Tue May 23, 2006 12:59 pm
1

2
18 Replies

158052 Views

Last post by alireza_rezvani
Tue Aug 29, 2023 11:13 pm

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