Using VASP

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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

3854 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

4813 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

5889 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

3585 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

3601 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

3977 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

3792 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

4618 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

3243 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

3945 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

2790 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

8835 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

4587 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

3323 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

3668 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

3513 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

5514 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

4938 Views

Last post by aron
Thu May 22, 2008 5:08 am
How to get Hubbard U and J?

Last post by admin « Wed May 21, 2008 6:45 pm
Replies: 1
by linglin » Wed May 21, 2008 5:47 am

1 Replies

3821 Views

Last post by admin
Wed May 21, 2008 6:45 pm
Nudged Elastic Band on chemical reaction

Last post by admin « Wed May 21, 2008 6:40 pm
Replies: 1
by yoshiyuki » Wed May 21, 2008 6:40 am

1 Replies

4190 Views

Last post by admin
Wed May 21, 2008 6:40 pm

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