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VASP interrupt when run MD simulation

Last post by henrique_miranda « Thu Oct 01, 2020 10:29 am
Replies: 3
by gniding » Sat Aug 22, 2020 1:15 am

3 Replies

6668 Views

Last post by henrique_miranda
Thu Oct 01, 2020 10:29 am
ELFCAR ERROR

Last post by henrique_miranda « Thu Oct 01, 2020 7:18 am
Replies: 9
by sungeng » Thu Jan 08, 2015 2:59 am

9 Replies

15035 Views

Last post by henrique_miranda
Thu Oct 01, 2020 7:18 am
NON-standard FORTRAN in fftw3d.f90 causes compile issue

Last post by henrique_miranda « Tue Sep 29, 2020 7:47 am
Replies: 1
by janfredin » Thu Sep 24, 2020 4:50 pm

1 Replies

4870 Views

Last post by henrique_miranda
Tue Sep 29, 2020 7:47 am
VASP not outputting band structure

Last post by madhu_menon2 « Thu Sep 24, 2020 11:38 pm
Replies: 7
by madhu_menon2 » Mon Sep 07, 2020 2:04 am

7 Replies

11105 Views

Last post by madhu_menon2
Thu Sep 24, 2020 11:38 pm
uninitialised variables

Last post by merzuk.kaltak « Wed Sep 23, 2020 7:36 am
Replies: 1
by roger_amos1 » Wed Sep 23, 2020 4:03 am

1 Replies

4385 Views

Last post by merzuk.kaltak
Wed Sep 23, 2020 7:36 am
magnetic job hang with vasp/6.1 pgi

Last post by mariella_ippolito1 « Tue Sep 22, 2020 11:02 am
Replies: 2
by mariella_ippolito1 » Thu Sep 03, 2020 9:36 am

2 Replies

5572 Views

Last post by mariella_ippolito1
Tue Sep 22, 2020 11:02 am
AMIX-entry in the Wiki

Last post by merzuk.kaltak « Tue Sep 01, 2020 7:42 am
Replies: 1
by MBaeker » Mon Aug 31, 2020 10:36 am

1 Replies

4649 Views

Last post by merzuk.kaltak
Tue Sep 01, 2020 7:42 am
Electric field gradient, eta parameter calculation: bug report

Last post by henrique_miranda « Wed Aug 19, 2020 10:05 am
Replies: 1
by kamal_choudhary1 » Tue Aug 04, 2020 9:23 pm

1 Replies

4708 Views

Last post by henrique_miranda
Wed Aug 19, 2020 10:05 am
Divergence on a new computer cluster; Error report when reducing one electron

Last post by can_liu « Mon Aug 17, 2020 2:59 am
Replies: 13
by can_liu » Mon Jun 15, 2020 3:11 am

13 Replies

19501 Views

Last post by can_liu
Mon Aug 17, 2020 2:59 am
The wrong core level was obtained with ALGO = Damped (or All).

Last post by xingao_gong1 « Fri Aug 14, 2020 1:28 pm
Replies: 9
by xingao_gong1 » Sat Jul 25, 2020 1:49 am

9 Replies

13399 Views

Last post by xingao_gong1
Fri Aug 14, 2020 1:28 pm
Differnet NPAR gives different ground states

Last post by henrique_miranda « Thu Aug 13, 2020 7:32 pm
Replies: 7
by mgverg » Tue Aug 11, 2020 1:53 pm

7 Replies

9435 Views

Last post by henrique_miranda
Thu Aug 13, 2020 7:32 pm
Bug in vasprun.xml energies

Last post by martin.schlipf « Fri Jul 10, 2020 7:08 am
Replies: 3
by sabrygad@buffalo.edu » Wed Jul 01, 2020 2:40 pm

3 Replies

7188 Views

Last post by martin.schlipf
Fri Jul 10, 2020 7:08 am
WARNING in EDDRMM: call to ZHEGV failed

Last post by martin.schlipf « Tue Jul 07, 2020 7:23 am
Replies: 3
by solankikiran » Thu May 28, 2020 7:18 pm

3 Replies

12531 Views

Last post by martin.schlipf
Tue Jul 07, 2020 7:23 am
Serious bug found in constrmag.F for vasp.6

Last post by martin.schlipf « Tue Jul 07, 2020 7:19 am
Replies: 1
by juergen.furthmueller » Mon Jul 06, 2020 1:32 pm

1 Replies

5362 Views

Last post by martin.schlipf
Tue Jul 07, 2020 7:19 am
Large atomic forces when LSORBIT = .True. with vasp6.1.0

Last post by ttadano « Sat Jun 20, 2020 5:32 am
Replies: 2
by ttadano » Thu Jun 04, 2020 8:06 am

2 Replies

5886 Views

Last post by ttadano
Sat Jun 20, 2020 5:32 am
PARCHG with LSORBIT=.TRUE. returns negative values

Last post by ferenc_karsai « Mon Jun 15, 2020 6:56 am
Replies: 2
by christopher_lane19 » Fri Jun 12, 2020 5:04 pm

2 Replies

6139 Views

Last post by ferenc_karsai
Mon Jun 15, 2020 6:56 am
XI_COULOMB error in a G0W0+SOC calculation

Last post by ferenc_karsai « Tue Jun 09, 2020 6:41 am
Replies: 5
by zcqsg27 » Mon May 09, 2016 12:57 pm

5 Replies

8572 Views

Last post by ferenc_karsai
Tue Jun 09, 2020 6:41 am
"double free or corruption" error

Last post by jethro_pryke « Fri Jun 05, 2020 8:52 am
Replies: 2
by jethro_pryke » Wed May 27, 2020 10:30 am

2 Replies

8812 Views

Last post by jethro_pryke
Fri Jun 05, 2020 8:52 am
Do Fermi energy depend on NBANDS？

Last post by ferenc_karsai « Tue Jun 02, 2020 5:17 am
Replies: 1
by wenkai_zhao » Thu May 21, 2020 11:45 am

1 Replies

4773 Views

Last post by ferenc_karsai
Tue Jun 02, 2020 5:17 am
Molecular Dynamics - Bug Report

Last post by ferenc_karsai « Tue May 26, 2020 6:19 am
Replies: 1
by marekmihalkovic » Wed May 20, 2020 11:37 am

1 Replies

5471 Views

Last post by ferenc_karsai
Tue May 26, 2020 6:19 am

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