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Another IBZKPT error

Last post by tjf « Fri Feb 03, 2006 10:30 am
Replies: 2
by maxisch » Thu Jan 12, 2006 5:33 am

2 Replies

21150 Views

Last post by tjf
Fri Feb 03, 2006 10:30 am
MAGMOM question

Last post by admin « Thu Jan 26, 2006 1:58 pm
Replies: 1
by Tyx » Wed Jan 25, 2006 6:08 pm

1 Replies

13191 Views

Last post by admin
Thu Jan 26, 2006 1:58 pm
bug in integrated DOS for fixed moment

Last post by admin « Wed Jan 25, 2006 2:19 pm
Replies: 3
by brsahu » Fri Jan 20, 2006 7:11 pm

3 Replies

20315 Views

Last post by admin
Wed Jan 25, 2006 2:19 pm
segmentation fault because NSW is set too high

Last post by admin « Tue Jan 10, 2006 8:28 am
Replies: 1
by j.meyer » Fri Dec 23, 2005 3:11 pm

1 Replies

13349 Views

Last post by admin
Tue Jan 10, 2006 8:28 am
Can more than 9999 MD steps be supported in writing XDATCAR?

Last post by wdv « Fri Jan 06, 2006 7:34 pm
Replies: 2
by wdv » Thu Jan 05, 2006 10:05 pm

2 Replies

17245 Views

Last post by wdv
Fri Jan 06, 2006 7:34 pm
ZPOTRF error - still trying

Last post by admin « Mon Dec 05, 2005 11:06 am
Replies: 4
by bth20 » Fri Oct 14, 2005 9:36 pm

4 Replies

22486 Views

Last post by admin
Mon Dec 05, 2005 11:06 am
Strange Output Error

Last post by des « Fri Dec 02, 2005 6:26 am
Replies: 4
by des » Fri Nov 25, 2005 8:26 pm

4 Replies

24790 Views

Last post by des
Fri Dec 02, 2005 6:26 am
MAPSET error

Last post by admin « Fri Nov 25, 2005 3:17 pm
Replies: 1
by bth20 » Wed Sep 14, 2005 10:46 am

1 Replies

15180 Views

Last post by admin
Fri Nov 25, 2005 3:17 pm
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

23046 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

16372 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

15974 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

15461 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

15600 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

17363 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

15261 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

11926 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

33206 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

12667 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

24486 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

12740 Views

Last post by admin
Mon Aug 22, 2005 11:29 am

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