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Problem in Scf convergence in different version of VASP

Last post by sourav « Wed Mar 15, 2023 5:20 am
Replies: 2
by sourav » Tue Feb 28, 2023 6:23 pm

2 Replies

5543 Views

Last post by sourav
Wed Mar 15, 2023 5:20 am
Inconsistent INISYM behavior between Intel- and NVIDIA-compiled VASP

Last post by pedro_melo « Mon Mar 13, 2023 12:38 pm
Replies: 1
by ebanyas » Tue Feb 28, 2023 11:23 pm

1 Replies

4591 Views

Last post by pedro_melo
Mon Mar 13, 2023 12:38 pm
"Segmentation fault" using vasp.6.3.0 with wannier90_3.1

Last post by zrqustc « Wed Mar 08, 2023 5:48 pm
Replies: 2
by zrqustc » Fri Mar 03, 2023 3:18 am

2 Replies

6193 Views

Last post by zrqustc
Wed Mar 08, 2023 5:48 pm
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

50283 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

24040 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

9543 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

52404 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

8711 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

7553 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

8647 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

12602 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

9005 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

33442 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

9196 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

18314 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

7050 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

10109 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

9586 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

11890 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

11039 Views

Last post by pnikacevic
Tue Nov 29, 2022 11:26 am

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