Using VASP

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convergence problem with large magnetic system with impurities

Last post by admin « Tue Jun 17, 2008 12:04 pm
Replies: 3
by okuno » Mon Jun 16, 2008 3:31 pm

3 Replies

3957 Views

Last post by admin
Tue Jun 17, 2008 12:04 pm
Anyone knows VASP 5 release date?

Last post by admin « Mon Jun 16, 2008 9:53 pm
Replies: 1
by chahn » Mon Jun 16, 2008 2:39 pm

1 Replies

1754 Views

Last post by admin
Mon Jun 16, 2008 9:53 pm
interstitial contribution to DOS

Last post by jan « Fri Jun 13, 2008 8:51 am
Replies: 2
by jan » Sat Jun 07, 2008 4:32 am

2 Replies

2075 Views

Last post by jan
Fri Jun 13, 2008 8:51 am
vibrational mode intensities?

Last post by dkersh02 « Thu Jun 12, 2008 8:40 pm
Replies: 3
by dkersh02 » Thu Jun 12, 2008 3:21 am

3 Replies

2576 Views

Last post by dkersh02
Thu Jun 12, 2008 8:40 pm
Accuracy vs. Nb of processors (2)

Last post by forsdan « Thu Jun 12, 2008 7:26 pm
Replies: 5
by pmignon » Fri Jun 06, 2008 5:33 pm

5 Replies

3011 Views

Last post by forsdan
Thu Jun 12, 2008 7:26 pm
Two questions about MD in VASP

Last post by admin « Thu Jun 12, 2008 7:14 pm
Replies: 1
by fanghz » Thu Jun 12, 2008 6:00 pm

1 Replies

2033 Views

Last post by admin
Thu Jun 12, 2008 7:14 pm
Question on magnetic moment

Last post by Jiaye Li « Thu Jun 12, 2008 7:05 am
Replies: 2
by Jiaye Li » Wed Jun 11, 2008 5:18 pm

2 Replies

1842 Views

Last post by Jiaye Li
Thu Jun 12, 2008 7:05 am
Ag(111) structrure for POSCAR

Last post by admin « Mon Jun 09, 2008 1:45 pm
Replies: 1
by Oscar_rp » Fri Jun 06, 2008 12:52 pm

1 Replies

2644 Views

Last post by admin
Mon Jun 09, 2008 1:45 pm
Accuracy vs. Nb of porcessors

Last post by pmignon « Thu Jun 05, 2008 2:16 pm
Replies: 2
by pmignon » Thu Jun 05, 2008 12:56 pm

2 Replies

2177 Views

Last post by pmignon
Thu Jun 05, 2008 2:16 pm
VASP and DFT

Last post by admin « Thu Jun 05, 2008 12:56 pm
Replies: 1
by Oscar_rp » Wed Jun 04, 2008 2:59 pm

1 Replies

3361 Views

Last post by admin
Thu Jun 05, 2008 12:56 pm
about INCAR

Last post by xinhuanwen « Thu Jun 05, 2008 6:37 am
Replies: 2
by xinhuanwen » Tue Jun 03, 2008 3:44 pm

2 Replies

1642 Views

Last post by xinhuanwen
Thu Jun 05, 2008 6:37 am
Electric Field Gradient

Last post by akberta « Tue Jun 03, 2008 6:08 pm
Replies: 2
by akberta » Mon Jun 02, 2008 8:58 pm

2 Replies

2338 Views

Last post by akberta
Tue Jun 03, 2008 6:08 pm
different intervals?

Last post by admin « Mon Jun 02, 2008 12:42 pm
Replies: 1
by linglin » Mon Jun 02, 2008 6:55 am

1 Replies

1433 Views

Last post by admin
Mon Jun 02, 2008 12:42 pm
Relation of EDIFFG to stress

Last post by admin « Thu May 29, 2008 11:59 am
Replies: 4
by dsiegel » Thu Aug 03, 2006 8:10 pm

4 Replies

6217 Views

Last post by admin
Thu May 29, 2008 11:59 am
Question about CexO2x-1 f electron location

Last post by admin « Thu May 29, 2008 11:52 am
Replies: 3
by dido » Sun May 25, 2008 9:58 am

3 Replies

2599 Views

Last post by admin
Thu May 29, 2008 11:52 am
Freezing atomic positions

Last post by forsdan « Wed May 28, 2008 9:48 am
Replies: 1
by Agalya » Tue May 27, 2008 11:54 pm

1 Replies

1873 Views

Last post by forsdan
Wed May 28, 2008 9:48 am
questions on the f/i frequence

Last post by admin « Mon May 26, 2008 5:05 pm
Replies: 1
by fegg7502 » Mon May 26, 2008 8:04 am

1 Replies

2372 Views

Last post by admin
Mon May 26, 2008 5:05 pm
spin multiplicity

Last post by admin « Mon May 26, 2008 4:31 pm
Replies: 1
by weizz » Sat May 24, 2008 6:14 am

1 Replies

1968 Views

Last post by admin
Mon May 26, 2008 4:31 pm
DOS and the effect of NBANDS

Last post by admin « Mon May 26, 2008 4:25 pm
Replies: 3
by q365 » Wed May 21, 2008 4:05 am

3 Replies

3460 Views

Last post by admin
Mon May 26, 2008 4:25 pm
Relavistic vs. Non-relativistic calculations.

Last post by aron « Thu May 22, 2008 5:08 am
Replies: 1
by teopze » Wed May 21, 2008 3:29 pm

1 Replies

2882 Views

Last post by aron
Thu May 22, 2008 5:08 am

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