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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

4172 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

5997 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

17677 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

4419 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

5886 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

7591 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

12537 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

4365 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

4925 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

12668 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

9219 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

5099 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

4299 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

8448 Views

Last post by enlvamp
Mon Jul 19, 2010 5:40 pm
Solid and gas phase energies for Acetic Acid

Last post by alex « Mon Jul 19, 2010 6:29 am
Replies: 3
by CStar » Fri Jul 16, 2010 10:56 am

3 Replies

7334 Views

Last post by alex
Mon Jul 19, 2010 6:29 am
why CHG file changes when I set ICHARG=11

Last post by castella « Thu Jul 15, 2010 6:10 pm
Replies: 4
by zj » Tue May 17, 2005 1:31 pm

4 Replies

8847 Views

Last post by castella
Thu Jul 15, 2010 6:10 pm
LEPSILON vs LOPTICS

Last post by wahyu « Thu Jul 15, 2010 2:27 pm
Replies: 1
by dekoning » Fri Apr 09, 2010 8:07 pm

1 Replies

5216 Views

Last post by wahyu
Thu Jul 15, 2010 2:27 pm
Result different for different K mesh and different between self consistent and non self consistent

Last post by hatdau « Mon Jul 12, 2010 4:29 pm
Replies: 1
by hatdau » Thu Jul 08, 2010 2:37 pm

1 Replies

4168 Views

Last post by hatdau
Mon Jul 12, 2010 4:29 pm
ERROR for HSE simulation: LAPACK: Routine ZTRTRI failed! 1

Last post by admin « Thu Jul 01, 2010 9:21 am
Replies: 1
by fzcsydl » Tue May 25, 2010 11:41 pm

1 Replies

4632 Views

Last post by admin
Thu Jul 01, 2010 9:21 am
Error comes for Spin-Orbit calculation

Last post by admin « Thu Jul 01, 2010 7:26 am
Replies: 1
by Arti » Wed Jun 30, 2010 7:01 pm

1 Replies

4354 Views

Last post by admin
Thu Jul 01, 2010 7:26 am

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