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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

16902 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

24651 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

15401 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

69611 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

14317 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

35650 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

150790 Views

Last post by alireza_rezvani
Tue Aug 29, 2023 11:13 pm
MLFF Hangs Before First Ionic Step when ML_AB is Present

Last post by ferenc_karsai « Tue Aug 29, 2023 7:52 am
Replies: 4
by vivienne_pelletier » Wed Aug 23, 2023 12:05 am

4 Replies

24376 Views

Last post by ferenc_karsai
Tue Aug 29, 2023 7:52 am
The DOS calculation took considerably longer when using ISMEAR=-5

Last post by zrqustc « Thu Aug 24, 2023 2:50 pm
Replies: 3
by zrqustc » Tue Jun 13, 2023 9:40 pm

3 Replies

20392 Views

Last post by zrqustc
Thu Aug 24, 2023 2:50 pm
inconsistent dielectric function matrix off-diagonal components

Last post by manuel_engel1 « Mon Aug 21, 2023 8:41 am
Replies: 1
by jhpark » Fri Aug 18, 2023 6:35 pm

1 Replies

15137 Views

Last post by manuel_engel1
Mon Aug 21, 2023 8:41 am
Bug: REAL_OPTLAY: internal error (1) 4067298 4072050

Last post by henrique_miranda « Fri Aug 18, 2023 7:58 am
Replies: 3
by filipejunqueira » Wed Mar 22, 2023 2:38 pm

3 Replies

20802 Views

Last post by henrique_miranda
Fri Aug 18, 2023 7:58 am
Vasp 6.4.1 giving different results with varied nodes

Last post by manuel_engel1 « Mon Aug 14, 2023 4:04 pm
Replies: 1
by shweta_choudhary » Mon Aug 14, 2023 12:54 pm

1 Replies

15200 Views

Last post by manuel_engel1
Mon Aug 14, 2023 4:04 pm
bug: VASP6.2.1 on GPU - internal error in: us.F at line: 1339

Last post by alexey.tal « Fri Aug 11, 2023 8:22 am
Replies: 1
by jonnyli » Thu Aug 10, 2023 10:12 pm

1 Replies

15665 Views

Last post by alexey.tal
Fri Aug 11, 2023 8:22 am
VASP 6.3.0 loop time is slower than 6.2.1 on specific node architecture for a hybrid calculation

Last post by guyohad « Wed Aug 09, 2023 11:23 am
Replies: 6
by guyohad » Mon May 16, 2022 4:48 pm

6 Replies

31336 Views

Last post by guyohad
Wed Aug 09, 2023 11:23 am
IBZKPT symmetry error

Last post by aaron_kaplan2 « Thu Aug 03, 2023 5:44 pm
Replies: 2
by aaron_kaplan2 » Thu Aug 03, 2023 12:16 am

2 Replies

16112 Views

Last post by aaron_kaplan2
Thu Aug 03, 2023 5:44 pm
bug when running TDHF with explicit k-point

Last post by alexey.tal « Fri Jul 21, 2023 8:16 am
Replies: 3
by awang95 » Mon Jul 10, 2023 6:55 pm

3 Replies

16449 Views

Last post by alexey.tal
Fri Jul 21, 2023 8:16 am
bug in vhdf5.F when running NEB with VTST

Last post by aaron_kaplan2 « Mon Jul 10, 2023 4:32 pm
Replies: 5
by awang95 » Thu Nov 03, 2022 4:39 pm

5 Replies

26243 Views

Last post by aaron_kaplan2
Mon Jul 10, 2023 4:32 pm
ML_ISTART = 1 doesn't work with different element types - v6.4.1

Last post by ferenc_karsai « Mon Jul 03, 2023 9:25 am
Replies: 4
by john_martirez1 » Wed Jun 28, 2023 2:26 pm

4 Replies

14558 Views

Last post by ferenc_karsai
Mon Jul 03, 2023 9:25 am
interruption of calculation during the SCF

Last post by alex « Thu Jun 29, 2023 7:16 am
Replies: 6
by marco_infantino » Wed Jun 21, 2023 1:00 pm

6 Replies

17885 Views

Last post by alex
Thu Jun 29, 2023 7:16 am
Number of basis functions in ML_FF capped below ML_MB

Last post by ferenc_karsai « Fri Jun 23, 2023 11:57 am
Replies: 5
by andreas_mlkner » Thu Jun 22, 2023 11:00 am

5 Replies

14424 Views

Last post by ferenc_karsai
Fri Jun 23, 2023 11:57 am

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