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hydrogen not detcted during calculation

Last post by ag9xc « Wed Nov 19, 2008 4:26 pm
Replies: 2
by ag9xc » Wed Nov 19, 2008 3:31 pm

2 Replies

7404 Views

Last post by ag9xc
Wed Nov 19, 2008 4:26 pm
Race condition issue in large-scale parallel jobs?

Last post by d-farrell2 « Mon Nov 17, 2008 2:51 pm
Replies: 1
by d-farrell2 » Fri Nov 14, 2008 6:15 pm

1 Replies

6223 Views

Last post by d-farrell2
Mon Nov 17, 2008 2:51 pm
basis set compleness

Last post by admin « Tue Nov 11, 2008 4:26 pm
Replies: 1
by wahyu » Fri Oct 24, 2008 5:57 pm

1 Replies

6667 Views

Last post by admin
Tue Nov 11, 2008 4:26 pm
"fatal internal in brackting system-shutdown; contact gK immediately"

Last post by camilo « Sun Oct 26, 2008 8:29 pm
Replies: 1
by pang_qing » Fri Oct 24, 2008 2:14 pm

1 Replies

9213 Views

Last post by camilo
Sun Oct 26, 2008 8:29 pm
The "informationâ€� in the MD caculations

Last post by admin « Thu Oct 23, 2008 12:28 pm
Replies: 1
by fegg7502 » Thu Oct 23, 2008 1:35 am

1 Replies

8161 Views

Last post by admin
Thu Oct 23, 2008 12:28 pm
The problem in MD calculation

Last post by admin « Thu Oct 23, 2008 10:23 am
Replies: 1
by fegg7502 » Thu Oct 23, 2008 1:50 am

1 Replies

6753 Views

Last post by admin
Thu Oct 23, 2008 10:23 am
How to display more significant figures in OUTCAR

Last post by admin « Wed Oct 08, 2008 12:15 pm
Replies: 1
by gpkmohan » Wed Oct 08, 2008 10:22 am

1 Replies

7463 Views

Last post by admin
Wed Oct 08, 2008 12:15 pm
Fatal Internal in Bracketing

Last post by gpkmohan « Wed Oct 08, 2008 10:28 am
Replies: 5
by sudhakar » Thu Feb 23, 2006 2:05 pm

5 Replies

25137 Views

Last post by gpkmohan
Wed Oct 08, 2008 10:28 am
How to calculate 4f DOS ?

Last post by nany « Wed Oct 01, 2008 11:05 am
Replies: 3
by shihongting » Tue Apr 08, 2008 10:09 am

3 Replies

11442 Views

Last post by nany
Wed Oct 01, 2008 11:05 am
non-conservation of electrons

Last post by admin « Wed Oct 01, 2008 9:32 am
Replies: 1
by ashwin » Sun Sep 21, 2008 5:03 pm

1 Replies

7229 Views

Last post by admin
Wed Oct 01, 2008 9:32 am
Fixed atoms move

Last post by admin « Wed Oct 01, 2008 9:25 am
Replies: 3
by hortophilus » Tue Sep 30, 2008 4:48 am

3 Replies

11805 Views

Last post by admin
Wed Oct 01, 2008 9:25 am
pseudo-hydrogens!

Last post by admin « Tue Sep 09, 2008 12:54 pm
Replies: 1
by alexandre » Fri Sep 05, 2008 11:11 am

1 Replies

7181 Views

Last post by admin
Tue Sep 09, 2008 12:54 pm
triple product of basis vectors

Last post by admin « Thu Sep 04, 2008 8:30 am
Replies: 1
by ccfisch » Wed Sep 03, 2008 11:45 pm

1 Replies

11864 Views

Last post by admin
Thu Sep 04, 2008 8:30 am
Error reading item "IMAGES" from file INCAR

Last post by admin « Mon Sep 01, 2008 2:18 pm
Replies: 1
by pnita » Sun Aug 31, 2008 12:41 am

1 Replies

10095 Views

Last post by admin
Mon Sep 01, 2008 2:18 pm
Question about eigenvalues

Last post by mrm « Sun Aug 24, 2008 7:27 pm
Replies: 2
by mrm » Sat Aug 16, 2008 5:44 pm

2 Replies

8189 Views

Last post by mrm
Sun Aug 24, 2008 7:27 pm
Explicit k-points for older VASP version

Last post by mrm « Wed Aug 13, 2008 8:31 pm
Replies: 2
by mrm » Thu Aug 07, 2008 11:27 pm

2 Replies

8920 Views

Last post by mrm
Wed Aug 13, 2008 8:31 pm
internal error in RAD_INT: RHOPS /= RHOAE

Last post by admin « Mon Aug 11, 2008 2:26 pm
Replies: 1
by asaaravindh » Fri Aug 08, 2008 12:55 pm

1 Replies

10454 Views

Last post by admin
Mon Aug 11, 2008 2:26 pm
Structure Changes

Last post by admin « Wed Aug 06, 2008 12:27 pm
Replies: 1
by nbalakr » Tue Jul 22, 2008 11:21 pm

1 Replies

6765 Views

Last post by admin
Wed Aug 06, 2008 12:27 pm
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 9

Last post by admin « Thu Jul 17, 2008 2:29 pm
Replies: 3
by tgakic » Tue Jun 28, 2005 7:42 am

3 Replies

59436 Views

Last post by admin
Thu Jul 17, 2008 2:29 pm
huh? no eigenvalues computed

Last post by mff7d « Wed Jul 16, 2008 7:00 pm
Replies: 2
by mff7d » Wed Jul 16, 2008 1:27 am

2 Replies

10013 Views

Last post by mff7d
Wed Jul 16, 2008 7:00 pm

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