Using VASP

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GGA tag

Last post by admin « Fri Mar 30, 2007 1:36 pm
Replies: 3
by tgakic » Wed Jan 18, 2006 9:55 am

3 Replies

8060 Views

Last post by admin
Fri Mar 30, 2007 1:36 pm
vasp is not doing anythin....

Last post by admin « Thu Mar 29, 2007 9:28 am
Replies: 4
by kanhere » Fri Mar 16, 2007 8:23 am

4 Replies

10952 Views

Last post by admin
Thu Mar 29, 2007 9:28 am
Positive total energy of an atom

Last post by admin « Thu Mar 29, 2007 9:22 am
Replies: 1
by baknoo » Wed Mar 28, 2007 11:28 am

1 Replies

6087 Views

Last post by admin
Thu Mar 29, 2007 9:22 am
promotion energy

Last post by admin « Thu Mar 29, 2007 9:12 am
Replies: 1
by mukul » Thu Mar 29, 2007 12:44 am

1 Replies

5382 Views

Last post by admin
Thu Mar 29, 2007 9:12 am
How to calculate the charge transfer in VASP?

Last post by Jiaye Li « Wed Mar 28, 2007 9:13 am
Replies: 3
by Anonymous » Fri Sep 17, 2004 1:07 pm

3 Replies

19650 Views

Last post by Jiaye Li
Wed Mar 28, 2007 9:13 am
Step in vacuum potentials

Last post by admin « Tue Mar 27, 2007 1:12 pm
Replies: 1
by des » Fri Mar 23, 2007 5:18 pm

1 Replies

5535 Views

Last post by admin
Tue Mar 27, 2007 1:12 pm
about ismear

Last post by admin « Tue Mar 27, 2007 12:35 pm
Replies: 5
by zhuanghl » Tue Jan 09, 2007 9:17 am

5 Replies

9897 Views

Last post by admin
Tue Mar 27, 2007 12:35 pm
NELECT

Last post by admin « Tue Mar 27, 2007 12:29 pm
Replies: 1
by kca002 » Sun Mar 25, 2007 3:57 pm

1 Replies

5748 Views

Last post by admin
Tue Mar 27, 2007 12:29 pm
elelctronic steps

Last post by admin « Tue Mar 27, 2007 12:15 pm
Replies: 1
by kanhere » Tue Mar 27, 2007 5:49 am

1 Replies

5466 Views

Last post by admin
Tue Mar 27, 2007 12:15 pm
how can I calculate the materials in room temperature

Last post by admin « Mon Mar 26, 2007 12:19 pm
Replies: 1
by hehui » Fri Mar 23, 2007 3:06 am

1 Replies

5059 Views

Last post by admin
Mon Mar 26, 2007 12:19 pm
Combine Splitted Band Structure Calculation?

Last post by admin « Thu Mar 22, 2007 1:11 pm
Replies: 1
by slavik » Wed Mar 21, 2007 6:27 pm

1 Replies

5342 Views

Last post by admin
Thu Mar 22, 2007 1:11 pm
Restrictions on NEDOS?

Last post by admin « Thu Mar 22, 2007 1:04 pm
Replies: 1
by forsdan » Tue Mar 20, 2007 8:57 am

1 Replies

5802 Views

Last post by admin
Thu Mar 22, 2007 1:04 pm
remove electrons from the valence band

Last post by admin « Thu Mar 22, 2007 12:56 pm
Replies: 1
by user » Fri Mar 16, 2007 6:24 pm

1 Replies

5761 Views

Last post by admin
Thu Mar 22, 2007 12:56 pm
Band structure problem

Last post by admin « Thu Mar 22, 2007 12:39 pm
Replies: 2
by divine » Thu Mar 15, 2007 1:52 pm

2 Replies

6890 Views

Last post by admin
Thu Mar 22, 2007 12:39 pm
rwigs

Last post by hra « Thu Mar 22, 2007 3:49 am
Replies: 2
by kanhere » Thu Mar 15, 2007 8:24 am

2 Replies

6721 Views

Last post by hra
Thu Mar 22, 2007 3:49 am
VASP.4.6.31 release notes?

Last post by grassman « Tue Mar 20, 2007 12:15 am
Replies: 2
by grassman » Thu Mar 15, 2007 6:01 pm

2 Replies

7449 Views

Last post by grassman
Tue Mar 20, 2007 12:15 am
how can I optimize a monoclinic structure?

Last post by admin « Mon Mar 19, 2007 2:14 pm
Replies: 1
by magnones » Fri Mar 16, 2007 9:57 pm

1 Replies

5900 Views

Last post by admin
Mon Mar 19, 2007 2:14 pm
warning

Last post by admin « Wed Mar 14, 2007 3:26 pm
Replies: 1
by kanhere » Wed Mar 14, 2007 10:42 am

1 Replies

5407 Views

Last post by admin
Wed Mar 14, 2007 3:26 pm
Core level shift

Last post by admin « Wed Mar 14, 2007 3:24 pm
Replies: 1
by pabi » Wed Mar 14, 2007 10:21 am

1 Replies

6076 Views

Last post by admin
Wed Mar 14, 2007 3:24 pm
About spin-orbintal !!!

Last post by admin « Wed Mar 14, 2007 3:18 pm
Replies: 1
by wcwang_uta » Mon Mar 12, 2007 11:22 pm

1 Replies

5674 Views

Last post by admin
Wed Mar 14, 2007 3:18 pm

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