Using VASP

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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

3344 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

2819 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

14614 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

2908 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

4677 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

2983 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

2419 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

2625 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

2455 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

3272 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

2806 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

3423 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

3184 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

4253 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

3170 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

2574 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

3314 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

2887 Views

Last post by admin
Wed Mar 14, 2007 3:18 pm
What is the reference zero energy for the eigenvalues in VASP.

Last post by admin « Wed Mar 14, 2007 3:15 pm
Replies: 1
by TING QIN » Mon Mar 12, 2007 3:56 pm

1 Replies

3207 Views

Last post by admin
Wed Mar 14, 2007 3:15 pm
optics

Last post by angie « Tue Mar 13, 2007 4:23 pm
Replies: 1
by May » Fri Mar 09, 2007 9:51 pm

1 Replies

2808 Views

Last post by angie
Tue Mar 13, 2007 4:23 pm

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