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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

8490 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

8656 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

6159 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

5650 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

5938 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

9249 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

4953 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

7138 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

18777 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

5189 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

6858 Views

Last post by admin
Thu Aug 26, 2010 1:44 pm
ISYM= -1 in non collinear calculations

Last post by admin « Thu Aug 26, 2010 1:39 pm
Replies: 1
by priya » Thu Aug 12, 2010 7:18 am

1 Replies

8428 Views

Last post by admin
Thu Aug 26, 2010 1:39 pm
Electric field in the standard code

Last post by frg213 « Sat Aug 21, 2010 1:43 pm
Replies: 4
by jaimeoviedo » Tue Apr 01, 2008 10:08 am

4 Replies

13927 Views

Last post by frg213
Sat Aug 21, 2010 1:43 pm
PATCH fock.F, uninitialized variable SZPRECFOCK breaks vasprun.xml

Last post by slabanja « Tue Aug 17, 2010 11:35 am
Replies: 1
by slabanja » Tue Aug 17, 2010 11:32 am

1 Replies

5142 Views

Last post by slabanja
Tue Aug 17, 2010 11:35 am
Try to switch off symmetry

Last post by westmonster « Sat Jul 31, 2010 11:47 am
Replies: 2
by westmonster » Sat Jul 31, 2010 8:57 am

2 Replies

5908 Views

Last post by westmonster
Sat Jul 31, 2010 11:47 am
Signal code: Address not mapped (1)

Last post by Sonny « Sat Jul 31, 2010 6:56 am
Replies: 3
by midair77 » Thu Apr 24, 2008 11:40 pm

3 Replies

13860 Views

Last post by Sonny
Sat Jul 31, 2010 6:56 am
Various issues with Berry phase calculations

Last post by jlbettis « Thu Jul 29, 2010 4:31 am
Replies: 4
by camilo » Wed Oct 22, 2008 9:22 pm

4 Replies

10563 Views

Last post by jlbettis
Thu Jul 29, 2010 4:31 am
Calculation DOS with HSE

Last post by cocopengy « Tue Jul 27, 2010 2:10 am
Replies: 1
by cocopengy » Tue Jul 27, 2010 1:47 am

1 Replies

5903 Views

Last post by cocopengy
Tue Jul 27, 2010 2:10 am
Berry Phase Calculations

Last post by admin « Mon Jul 26, 2010 1:53 pm
Replies: 1
by assari10 » Fri Jul 16, 2010 3:46 am

1 Replies

5199 Views

Last post by admin
Mon Jul 26, 2010 1:53 pm
"magnetization" is absent in outcar

Last post by enlvamp « Mon Jul 19, 2010 5:40 pm
Replies: 3
by wuxiang » Sun May 23, 2010 12:56 am

3 Replies

9666 Views

Last post by enlvamp
Mon Jul 19, 2010 5:40 pm

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