Using VASP

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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

5586 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

5085 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

5701 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

5348 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

5626 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

5124 Views

Last post by angie
Tue Mar 13, 2007 4:23 pm
molecular dynamics in VASP

Last post by whzhang « Mon Mar 12, 2007 9:41 am
Replies: 4
by whzhang » Wed Feb 07, 2007 10:49 am

4 Replies

10282 Views

Last post by whzhang
Mon Mar 12, 2007 9:41 am
SPRING-ISPRING

Last post by mgarcia « Fri Mar 09, 2007 3:06 pm
Replies: 3
by mgarcia » Tue Jan 02, 2007 3:00 pm

3 Replies

7000 Views

Last post by mgarcia
Fri Mar 09, 2007 3:06 pm
Submit error

Last post by Jiaye Li « Fri Mar 09, 2007 8:20 am
Replies: 5
by Jiaye Li » Mon Feb 26, 2007 1:46 am

5 Replies

9176 Views

Last post by Jiaye Li
Fri Mar 09, 2007 8:20 am
why the topmost empty bands are never get optimized correctly

Last post by admin « Fri Mar 09, 2007 8:17 am
Replies: 5
by yilmaz » Mon Mar 05, 2007 3:54 pm

5 Replies

8600 Views

Last post by admin
Fri Mar 09, 2007 8:17 am
RWIGS and PAW

Last post by aarondesk « Thu Mar 08, 2007 4:18 pm
Replies: 2
by aarondesk » Mon Mar 05, 2007 11:31 pm

2 Replies

6200 Views

Last post by aarondesk
Thu Mar 08, 2007 4:18 pm
error in calculating band structure

Last post by admin « Thu Mar 08, 2007 10:16 am
Replies: 1
by superyoyo » Wed Mar 07, 2007 7:20 pm

1 Replies

5039 Views

Last post by admin
Thu Mar 08, 2007 10:16 am
STM image of Graphene

Last post by admin « Thu Mar 08, 2007 10:12 am
Replies: 2
by lahaye » Thu Mar 08, 2007 1:46 am

2 Replies

7162 Views

Last post by admin
Thu Mar 08, 2007 10:12 am
how to calculate dipole moment

Last post by admin « Thu Mar 08, 2007 10:03 am
Replies: 1
by lanjh » Sun Mar 04, 2007 9:06 am

1 Replies

5168 Views

Last post by admin
Thu Mar 08, 2007 10:03 am
"WARNING: stress and forces are not correct"

Last post by admin « Thu Mar 08, 2007 10:01 am
Replies: 4
by opvu » Tue Jul 18, 2006 6:31 am

4 Replies

14459 Views

Last post by admin
Thu Mar 08, 2007 10:01 am
Fermi energy of semiconductor

Last post by admin « Thu Mar 08, 2007 9:59 am
Replies: 2
by simly » Thu Mar 01, 2007 2:35 am

2 Replies

7626 Views

Last post by admin
Thu Mar 08, 2007 9:59 am
solid

Last post by admin « Thu Mar 08, 2007 9:50 am
Replies: 1
by kanhere » Tue Feb 27, 2007 4:44 pm

1 Replies

5087 Views

Last post by admin
Thu Mar 08, 2007 9:50 am
could you provide some examples for calculating CNT?

Last post by admin « Thu Mar 08, 2007 9:38 am

by admin » Thu Mar 08, 2007 9:38 am

0 Replies

4238 Views

Last post by admin
Thu Mar 08, 2007 9:38 am
about the RWIGS tag when calculating PDOS

Last post by admin « Thu Mar 08, 2007 8:30 am
Replies: 1
by lanjh » Thu Mar 08, 2007 2:05 am

1 Replies

5530 Views

Last post by admin
Thu Mar 08, 2007 8:30 am
Plotting DFT single particle orbitals

Last post by admin « Thu Mar 08, 2007 8:27 am
Replies: 3
by enrique » Thu Feb 15, 2007 8:57 pm

3 Replies

7900 Views

Last post by admin
Thu Mar 08, 2007 8:27 am

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