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LDIAG=False has not effect for ionic relaxation

Last post by yihuang_xiong « Wed Mar 01, 2023 4:13 am
Replies: 17
by yihuang_xiong » Mon Jan 23, 2023 4:45 am
1

2
17 Replies

62886 Views

Last post by yihuang_xiong
Wed Mar 01, 2023 4:13 am
VASP 6.4 ML_ISTART=2 doesn't work

Last post by xiliang_lian « Fri Feb 24, 2023 9:39 am
Replies: 12
by xiliang_lian » Fri Feb 17, 2023 3:38 pm

12 Replies

35294 Views

Last post by xiliang_lian
Fri Feb 24, 2023 9:39 am
MPI bug: internal error in: vhdf5_base.F at line: 2270

Last post by fabien_tran1 « Wed Feb 08, 2023 3:13 pm
Replies: 1
by amritachatto » Tue Feb 07, 2023 4:03 pm

1 Replies

12078 Views

Last post by fabien_tran1
Wed Feb 08, 2023 3:13 pm
AECCAR0 file has all NaN wriiten

Last post by fabien_tran1 « Fri Feb 03, 2023 2:39 pm
Replies: 17
by SKM » Sat Apr 10, 2021 2:57 am
1

2
17 Replies

67501 Views

Last post by fabien_tran1
Fri Feb 03, 2023 2:39 pm
Si HSE Wannier example crashes with overflow

Last post by vahid_askarpour « Fri Feb 03, 2023 1:17 am
Replies: 2
by vahid_askarpour » Tue Jan 31, 2023 3:31 pm

2 Replies

12527 Views

Last post by vahid_askarpour
Fri Feb 03, 2023 1:17 am
internal error in: nonlr.F at line: 555

Last post by fabien_tran1 « Wed Feb 01, 2023 10:33 am
Replies: 1
by armando_derezende » Mon Jan 30, 2023 9:20 pm

1 Replies

10085 Views

Last post by fabien_tran1
Wed Feb 01, 2023 10:33 am
HSE calculations stops with BUG report

Last post by fabien_tran1 « Tue Jan 31, 2023 9:55 am
Replies: 2
by kdoblhoff » Mon Jan 30, 2023 11:36 am

2 Replies

11811 Views

Last post by fabien_tran1
Tue Jan 31, 2023 9:55 am
"internal error in: mpi.F, M_sumb_d: invalid vector size" in wannier mode

Last post by dongshen_wen « Thu Jan 26, 2023 10:38 am
Replies: 4
by dongshen_wen » Tue Jan 10, 2023 10:50 am

4 Replies

17445 Views

Last post by dongshen_wen
Thu Jan 26, 2023 10:38 am
py4vasp (problem with 'plot' from 'py4vasp' )

Last post by andreas.singraber « Mon Jan 16, 2023 8:41 am
Replies: 2
by rfaccio » Fri Jan 13, 2023 9:59 pm

2 Replies

11884 Views

Last post by andreas.singraber
Mon Jan 16, 2023 8:41 am
VASP 6.3.0 ACC OMP memory leak

Last post by andreas.singraber « Mon Jan 16, 2023 8:21 am
Replies: 14
by Dankomaister » Tue May 03, 2022 1:36 am

14 Replies

44806 Views

Last post by andreas.singraber
Mon Jan 16, 2023 8:21 am
py4vasp issue

Last post by martin.schlipf « Mon Jan 16, 2023 7:48 am
Replies: 3
by shirin_akter1 » Thu Jan 12, 2023 2:27 pm

3 Replies

12551 Views

Last post by martin.schlipf
Mon Jan 16, 2023 7:48 am
internal error in mpi.F

Last post by andreas.singraber « Thu Jan 12, 2023 9:20 am
Replies: 7
by martin.gmitra » Mon Dec 26, 2022 8:48 pm

7 Replies

26032 Views

Last post by andreas.singraber
Thu Jan 12, 2023 9:20 am
Wrong link to ML_MHIS

Last post by andreas.singraber « Sat Jan 07, 2023 12:13 am
Replies: 1
by jeremiah » Fri Jan 06, 2023 9:51 am

1 Replies

9121 Views

Last post by andreas.singraber
Sat Jan 07, 2023 12:13 am
Memory Issue with ALGO=ACFDTR

Last post by s_ringe « Fri Dec 09, 2022 2:54 pm
Replies: 3
by s_ringe » Wed Dec 07, 2022 10:08 am

3 Replies

13488 Views

Last post by s_ringe
Fri Dec 09, 2022 2:54 pm
Constrained occupation not respected in VASP6

Last post by henrique_miranda « Mon Dec 05, 2022 4:01 pm
Replies: 1
by oscarlb » Fri Dec 02, 2022 2:49 pm

1 Replies

12418 Views

Last post by henrique_miranda
Mon Dec 05, 2022 4:01 pm
NaN in Machine Learning of liquid surfacs

Last post by ferenc_karsai « Fri Dec 02, 2022 1:22 pm
Replies: 5
by julien_steffen » Mon Oct 24, 2022 11:51 am

5 Replies

16318 Views

Last post by ferenc_karsai
Fri Dec 02, 2022 1:22 pm
BSE - WAVEDER cannot be found

Last post by pnikacevic « Tue Nov 29, 2022 11:26 am
Replies: 4
by pnikacevic » Wed Nov 23, 2022 2:17 pm

4 Replies

15958 Views

Last post by pnikacevic
Tue Nov 29, 2022 11:26 am
memory leak: AIMD with openmpi 4.1.4 on GPUs

Last post by liu_jiyuan « Thu Nov 24, 2022 1:02 am
Replies: 2
by liu_jiyuan » Sat Nov 19, 2022 2:12 pm

2 Replies

12993 Views

Last post by liu_jiyuan
Thu Nov 24, 2022 1:02 am
EFIELD bug in VASP 6.1.2

Last post by merzuk.kaltak « Mon Nov 21, 2022 2:44 pm
Replies: 1
by nfchilton » Mon Nov 21, 2022 12:21 pm

1 Replies

9272 Views

Last post by merzuk.kaltak
Mon Nov 21, 2022 2:44 pm
bur report: ML_ISTART=3, ^@ in System name of ML_ABN

Last post by ferenc_karsai « Wed Nov 16, 2022 2:55 pm
Replies: 2
by jianli_shao1 » Wed Nov 16, 2022 5:12 am

2 Replies

11484 Views

Last post by ferenc_karsai
Wed Nov 16, 2022 2:55 pm

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