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internal error in subroutine INVGRP

Last post by admin « Fri Nov 25, 2005 2:57 pm
Replies: 1
by Brane » Fri Oct 28, 2005 3:32 am

1 Replies

27570 Views

Last post by admin
Fri Nov 25, 2005 2:57 pm
Error EDDRMM: Call to ZHEGV failed. Returncode = 6 3**

Last post by wistey « Wed Nov 23, 2005 1:37 pm
Replies: 2
by cooki » Tue Jul 19, 2005 10:44 am

2 Replies

20405 Views

Last post by wistey
Wed Nov 23, 2005 1:37 pm
IBZKPT error

Last post by admin « Wed Nov 16, 2005 2:40 pm
Replies: 1
by bth20 » Thu Oct 27, 2005 9:11 pm

1 Replies

19649 Views

Last post by admin
Wed Nov 16, 2005 2:40 pm
optimization

Last post by admin « Wed Nov 16, 2005 1:43 pm

by admin » Wed Nov 16, 2005 1:43 pm

0 Replies

18767 Views

Last post by admin
Wed Nov 16, 2005 1:43 pm
paw-pbe at expanded pressures. As volume inceases, pressure increases as well!

Last post by admin « Wed Nov 16, 2005 1:33 pm
Replies: 1
by akberta » Tue Oct 04, 2005 8:34 pm

1 Replies

19544 Views

Last post by admin
Wed Nov 16, 2005 1:33 pm
Order of magnitude timing difference

Last post by tjf « Mon Oct 17, 2005 3:25 pm
Replies: 2
by tjf » Fri Sep 30, 2005 2:12 pm

2 Replies

21519 Views

Last post by tjf
Mon Oct 17, 2005 3:25 pm
Last "e_0_energy" in vasprun.xml

Last post by atogo « Mon Oct 17, 2005 2:34 am
Replies: 2
by atogo » Wed Aug 10, 2005 2:47 am

2 Replies

19538 Views

Last post by atogo
Mon Oct 17, 2005 2:34 am
Parallel VASP on Opteron

Last post by admin « Fri Oct 07, 2005 1:02 pm
Replies: 1
by saurabh » Mon Jul 11, 2005 8:01 am

1 Replies

15978 Views

Last post by admin
Fri Oct 07, 2005 1:02 pm
Effect of unit cell size for convergence in atomic calculation

Last post by admin « Mon Sep 26, 2005 3:46 pm
Replies: 8
by itomasa » Mon Sep 12, 2005 11:49 pm

8 Replies

43665 Views

Last post by admin
Mon Sep 26, 2005 3:46 pm
Wrong convergence

Last post by admin « Wed Sep 21, 2005 2:57 pm
Replies: 1
by priya » Wed Sep 21, 2005 7:16 am

1 Replies

18734 Views

Last post by admin
Wed Sep 21, 2005 2:57 pm
Problem in DOS calculation

Last post by admin « Wed Sep 14, 2005 11:47 am
Replies: 4
by priya » Fri Jul 22, 2005 9:59 am

4 Replies

34294 Views

Last post by admin
Wed Sep 14, 2005 11:47 am
Band decomposed charge densities

Last post by admin « Mon Aug 22, 2005 11:29 am
Replies: 1
by cdt9f » Thu Aug 11, 2005 4:14 pm

1 Replies

21165 Views

Last post by admin
Mon Aug 22, 2005 11:29 am
VPU vs CPU time

Last post by Mike « Tue Aug 16, 2005 1:20 pm
Replies: 2
by Mike » Tue Aug 09, 2005 9:33 pm

2 Replies

25507 Views

Last post by Mike
Tue Aug 16, 2005 1:20 pm
F95 timing routines

Last post by job « Tue Aug 16, 2005 9:54 am
Replies: 1
by job » Tue Aug 16, 2005 9:48 am

1 Replies

22626 Views

Last post by job
Tue Aug 16, 2005 9:54 am
Problems with Energy Convergence

Last post by cdt9f « Fri Aug 12, 2005 8:16 pm
Replies: 1
by cdt9f » Fri Aug 05, 2005 6:35 pm

1 Replies

26110 Views

Last post by cdt9f
Fri Aug 12, 2005 8:16 pm
What's wrong? Thanks.

Last post by admin « Tue Aug 09, 2005 10:55 am
Replies: 1
by whao » Sun Aug 07, 2005 4:03 pm

1 Replies

44241 Views

Last post by admin
Tue Aug 09, 2005 10:55 am
How do we fix the distance between two atoms ?

Last post by scerwin « Wed Jul 27, 2005 3:28 pm
Replies: 2
by anagaw » Sun Jul 17, 2005 9:43 pm

2 Replies

30100 Views

Last post by scerwin
Wed Jul 27, 2005 3:28 pm
I have a problem about PAW_GGA

Last post by Veronika « Mon Jul 25, 2005 6:30 am
Replies: 1
by zzzhong » Fri Jul 22, 2005 3:29 am

1 Replies

27867 Views

Last post by Veronika
Mon Jul 25, 2005 6:30 am
total moment on the cell and Hund's rule

Last post by admin « Wed Jul 13, 2005 9:48 am
Replies: 5
by brsahu » Thu Jul 07, 2005 8:06 pm

5 Replies

47820 Views

Last post by admin
Wed Jul 13, 2005 9:48 am
[color=green][b]Can VASP do GGA calculation using PAW generated based on LDA( LEXCH = CA)[/b][/colo

Last post by admin « Mon Jul 11, 2005 12:41 pm
Replies: 1
by lcyin » Wed Jul 06, 2005 6:20 am

1 Replies

30356 Views

Last post by admin
Mon Jul 11, 2005 12:41 pm

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