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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

5873 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

4367 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

4604 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

4476 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

6963 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

6090 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

4763 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

5136 Views

Last post by admin
Wed May 21, 2008 6:40 pm
How to treat symmetry of magnetic supercell?

Last post by admin « Tue May 20, 2008 3:06 pm
Replies: 1
by fansico » Mon May 19, 2008 8:36 pm

1 Replies

6323 Views

Last post by admin
Tue May 20, 2008 3:06 pm
Error for input tag MAGMOM with large number Atom

Last post by forsdan « Tue May 20, 2008 10:52 am
Replies: 1
by okuno » Tue May 20, 2008 10:06 am

1 Replies

5200 Views

Last post by forsdan
Tue May 20, 2008 10:52 am
PSTRESS

Last post by admin « Mon May 19, 2008 1:39 pm
Replies: 1
by TAT » Sat May 17, 2008 8:26 pm

1 Replies

4953 Views

Last post by admin
Mon May 19, 2008 1:39 pm
Reference direction - lm decomposed DOS

Last post by admin « Mon May 19, 2008 1:34 pm
Replies: 1
by forsdan » Fri May 16, 2008 7:17 pm

1 Replies

4330 Views

Last post by admin
Mon May 19, 2008 1:34 pm
how to add vacuum potential

Last post by admin « Fri May 16, 2008 4:51 pm
Replies: 2
by xinhuanwen » Thu May 15, 2008 5:18 pm

2 Replies

5416 Views

Last post by admin
Fri May 16, 2008 4:51 pm
patitial DOS

Last post by admin « Thu May 15, 2008 3:04 pm
Replies: 3
by linglin » Mon May 12, 2008 1:30 am

3 Replies

5665 Views

Last post by admin
Thu May 15, 2008 3:04 pm
Groundstate magnetic calculations on Fe

Last post by Jiaye Li « Sat May 10, 2008 6:45 am
Replies: 9
by Jiaye Li » Tue Apr 29, 2008 1:30 am

9 Replies

17899 Views

Last post by Jiaye Li
Sat May 10, 2008 6:45 am
MD

Last post by TAT « Thu May 08, 2008 4:10 pm
Replies: 4
by TAT » Sat Apr 26, 2008 1:09 am

4 Replies

6775 Views

Last post by TAT
Thu May 08, 2008 4:10 pm
Adsorption of a molecule on a surface

Last post by admin « Thu May 08, 2008 12:35 pm
Replies: 1
by ahmed2004 » Wed May 07, 2008 7:29 pm

1 Replies

4828 Views

Last post by admin
Thu May 08, 2008 12:35 pm
Mixing tag

Last post by admin « Mon May 05, 2008 2:37 pm
Replies: 1
by simoneca » Mon May 05, 2008 1:51 pm

1 Replies

4562 Views

Last post by admin
Mon May 05, 2008 2:37 pm
PAW with USPP

Last post by admin « Mon May 05, 2008 1:55 pm
Replies: 1
by cdt9f » Fri May 02, 2008 3:37 pm

1 Replies

4461 Views

Last post by admin
Mon May 05, 2008 1:55 pm
External electric field

Last post by bendix « Fri Apr 25, 2008 5:51 am
Replies: 2
by plesset » Tue Apr 22, 2008 9:16 am

2 Replies

5548 Views

Last post by bendix
Fri Apr 25, 2008 5:51 am

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