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BRMIX: very serious problems the old and the new charge density differ old charge density

Last post by alex « Wed Nov 03, 2010 8:06 am
Replies: 4
by cajuan@criba.edu.ar » Thu Sep 02, 2010 8:36 pm

4 Replies

11550 Views

Last post by alex
Wed Nov 03, 2010 8:06 am
simulating stm tip

Last post by admin « Tue Nov 02, 2010 2:16 pm
Replies: 1
by hannathamleena » Wed Oct 06, 2010 3:48 am

1 Replies

2186 Views

Last post by admin
Tue Nov 02, 2010 2:16 pm
Atoms not counted in during calculation -

Last post by admin « Fri Oct 29, 2010 11:26 am
Replies: 1
by muthukumar2k3 » Tue Aug 31, 2010 2:35 pm

1 Replies

1927 Views

Last post by admin
Fri Oct 29, 2010 11:26 am
Bug in vdwforcefield.F

Last post by admin « Fri Oct 29, 2010 11:25 am
Replies: 1
by msd30 » Wed Sep 08, 2010 12:13 pm

1 Replies

2863 Views

Last post by admin
Fri Oct 29, 2010 11:25 am
Error in k-point sampling in G0W0 Calculations

Last post by admin « Fri Oct 29, 2010 11:22 am
Replies: 2
by ZachTexas » Mon Sep 20, 2010 6:00 pm

2 Replies

3716 Views

Last post by admin
Fri Oct 29, 2010 11:22 am
Strange problem with ISIF=3 and VASP 5.2

Last post by CStar « Tue Oct 19, 2010 12:34 pm
Replies: 2
by CStar » Mon Oct 18, 2010 6:19 pm

2 Replies

3041 Views

Last post by CStar
Tue Oct 19, 2010 12:34 pm
bandstructure of pyrochlores

Last post by vasp2010 « Tue Oct 19, 2010 8:06 am
Replies: 2
by vasp2010 » Mon Oct 18, 2010 3:24 pm

2 Replies

3037 Views

Last post by vasp2010
Tue Oct 19, 2010 8:06 am
problem of Non-collinear calculations and spin orbit coupling calculations

Last post by icmm « Wed Oct 13, 2010 8:45 am
Replies: 1
by icmm » Mon Oct 11, 2010 2:17 pm

1 Replies

3610 Views

Last post by icmm
Wed Oct 13, 2010 8:45 am
PBE0 cannot be used in vasp5.2?

Last post by Sonny « Wed Oct 13, 2010 7:38 am
Replies: 6
by yuanxun » Mon Aug 24, 2009 6:45 am

6 Replies

5343 Views

Last post by Sonny
Wed Oct 13, 2010 7:38 am
VASP 5.2 hybrid functionals

Last post by alex « Tue Oct 12, 2010 11:12 am
Replies: 4
by Sonny » Wed Oct 06, 2010 3:09 pm

4 Replies

3761 Views

Last post by alex
Tue Oct 12, 2010 11:12 am
WARNING:The distance between some ions is very small

Last post by vasp2010 « Wed Oct 06, 2010 12:03 pm
Replies: 2
by vasp2010 » Wed Oct 06, 2010 3:23 am

2 Replies

5110 Views

Last post by vasp2010
Wed Oct 06, 2010 12:03 pm
NBANDS-tag doesn't work.

Last post by fzcsydl « Sun Oct 03, 2010 11:40 pm
Replies: 2
by fzcsydl » Sun Oct 03, 2010 6:16 pm

2 Replies

2817 Views

Last post by fzcsydl
Sun Oct 03, 2010 11:40 pm
incorrect number of electrons in outcar with intel compiler

Last post by admin « Sun Sep 26, 2010 1:17 pm
Replies: 1
by cpp6f » Wed Sep 01, 2010 3:34 am

1 Replies

3256 Views

Last post by admin
Sun Sep 26, 2010 1:17 pm
Artifactual charged states when using LAECHG tag?

Last post by admin « Sun Sep 26, 2010 1:07 pm
Replies: 1
by camilo » Fri Sep 10, 2010 5:54 pm

1 Replies

3157 Views

Last post by admin
Sun Sep 26, 2010 1:07 pm
vasp broke down without any error information

Last post by lgxyz « Mon Sep 13, 2010 9:15 am
Replies: 4
by lgxyz » Sun Sep 12, 2010 5:40 am

4 Replies

4089 Views

Last post by lgxyz
Mon Sep 13, 2010 9:15 am
VASP parallel efficiency problem

Last post by forsdan « Sat Sep 04, 2010 4:55 pm
Replies: 1
by fzcsydl » Sat Sep 04, 2010 12:04 am

1 Replies

2782 Views

Last post by forsdan
Sat Sep 04, 2010 4:55 pm
Erratic magnetization output!

Last post by pdalach « Fri Aug 27, 2010 1:55 pm
Replies: 3
by pdalach » Thu Aug 26, 2010 4:25 am

3 Replies

3789 Views

Last post by pdalach
Fri Aug 27, 2010 1:55 pm
VERY BAD NEWS! internal error in subroutine IBZKPT

Last post by sergio « Thu Aug 26, 2010 5:55 pm
Replies: 1
by sergio » Mon Aug 02, 2010 5:39 pm

1 Replies

14659 Views

Last post by sergio
Thu Aug 26, 2010 5:55 pm
srun: error: Invalid numeric value "/home/vasp/vaspexec/vasp" for number of tasks.

Last post by admin « Thu Aug 26, 2010 1:48 pm
Replies: 1
by wanderingbear » Tue Jul 27, 2010 5:13 pm

1 Replies

2823 Views

Last post by admin
Thu Aug 26, 2010 1:48 pm
IDIPOL=3 and slab calculations

Last post by admin « Thu Aug 26, 2010 1:44 pm
Replies: 2
by CStar » Fri Jul 23, 2010 2:51 pm

2 Replies

3874 Views

Last post by admin
Thu Aug 26, 2010 1:44 pm

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