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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

33854 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

21085 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

14335 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

11258 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

18111 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

7763 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

8602 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

9086 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

13558 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

12192 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

6861 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

7858 Views

Last post by ferenc_karsai
Tue May 26, 2020 6:19 am
low-scaling GW calculations for vasp6

Last post by merzuk.kaltak « Tue Apr 28, 2020 1:54 pm
Replies: 3
by xiaoming_wang » Wed Apr 08, 2020 4:08 am

3 Replies

13613 Views

Last post by merzuk.kaltak
Tue Apr 28, 2020 1:54 pm
wrong band orders (eigenvalue or orbital) of GW calculations

Last post by merzuk.kaltak « Mon Apr 27, 2020 7:55 am
Replies: 1
by xiaoming_wang » Sat Apr 11, 2020 4:41 am

1 Replies

7393 Views

Last post by merzuk.kaltak
Mon Apr 27, 2020 7:55 am
MPI error at large NBANDS

Last post by yueguang_shi « Tue Apr 07, 2020 2:12 am
Replies: 6
by yueguang_shi » Sun Mar 29, 2020 11:00 pm

6 Replies

16421 Views

Last post by yueguang_shi
Tue Apr 07, 2020 2:12 am
Adding LSORBIT Causes Errors in WAVECAR

Last post by merzuk.kaltak « Mon Mar 30, 2020 1:02 pm
Replies: 1
by josh_reding » Mon Mar 30, 2020 10:08 am

1 Replies

9630 Views

Last post by merzuk.kaltak
Mon Mar 30, 2020 1:02 pm
XML Root tag closing in BSE and TDDFT

Last post by merzuk.kaltak « Mon Mar 23, 2020 3:42 pm
Replies: 1
by Malediction » Fri Jul 12, 2019 8:54 am

1 Replies

16607 Views

Last post by merzuk.kaltak
Mon Mar 23, 2020 3:42 pm
MLFF_Liquid_Si example - No ML Ouput Files

Last post by henrique_miranda « Mon Mar 23, 2020 11:16 am
Replies: 1
by christianreece » Thu Mar 19, 2020 8:07 pm

1 Replies

6608 Views

Last post by henrique_miranda
Mon Mar 23, 2020 11:16 am
VASP Segmentation Fault Seemingly due to Vacuum Width?

Last post by jianan_zhang « Thu Mar 19, 2020 11:39 pm
Replies: 4
by meb7pz » Tue Mar 03, 2020 12:29 am

4 Replies

14320 Views

Last post by jianan_zhang
Thu Mar 19, 2020 11:39 pm
Can you help with vasp/5.5.4-omc submission script?

Last post by henrique_miranda « Thu Mar 19, 2020 10:53 am
Replies: 1
by nicola_zagni » Wed Mar 11, 2020 1:45 pm

1 Replies

7146 Views

Last post by henrique_miranda
Thu Mar 19, 2020 10:53 am

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