Using VASP

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CO on Pt(111), DFT+U

Last post by admin « Tue Nov 14, 2006 9:58 am
Replies: 3
by neeti » Mon Oct 23, 2006 9:35 pm

3 Replies

8707 Views

Last post by admin
Tue Nov 14, 2006 9:58 am
A question about relaxation with ISIF

Last post by admin « Tue Nov 14, 2006 9:57 am
Replies: 3
by anin » Wed Oct 25, 2006 6:23 am

3 Replies

9553 Views

Last post by admin
Tue Nov 14, 2006 9:57 am
CHGCAR unit?

Last post by bandy « Mon Nov 13, 2006 5:05 pm
Replies: 10
by bandy » Mon Nov 06, 2006 1:31 am

10 Replies

24026 Views

Last post by bandy
Mon Nov 13, 2006 5:05 pm
About magnetic system

Last post by bandy « Mon Nov 13, 2006 4:56 pm
Replies: 4
by look » Wed Jun 01, 2005 1:02 pm

4 Replies

11639 Views

Last post by bandy
Mon Nov 13, 2006 4:56 pm
lattice vectors change wih ISIF=2

Last post by tjf « Thu Nov 09, 2006 1:48 pm
Replies: 1
by jk2 » Wed Nov 08, 2006 2:03 pm

1 Replies

5893 Views

Last post by tjf
Thu Nov 09, 2006 1:48 pm
How to set INCAR and POTCAR for LDA calculation

Last post by bandy « Tue Nov 07, 2006 1:01 am
Replies: 1
by Tian » Wed Oct 25, 2006 4:31 pm

1 Replies

9364 Views

Last post by bandy
Tue Nov 07, 2006 1:01 am
LandÃ© g-factor ?

Last post by alex « Mon Nov 06, 2006 4:05 pm
Replies: 1
by lahaye » Sat Nov 04, 2006 4:57 pm

1 Replies

5720 Views

Last post by alex
Mon Nov 06, 2006 4:05 pm
bulk Pd: magnetic?

Last post by hong123ok « Fri Nov 03, 2006 7:50 pm
Replies: 1
by hong123ok » Fri Nov 03, 2006 6:26 pm

1 Replies

6314 Views

Last post by hong123ok
Fri Nov 03, 2006 7:50 pm
..charge orbital ordering..

Last post by cacarden « Fri Nov 03, 2006 2:46 pm
Replies: 1
by brocks » Thu Nov 02, 2006 6:17 am

1 Replies

7348 Views

Last post by cacarden
Fri Nov 03, 2006 2:46 pm
LDOS

Last post by cacarden « Fri Nov 03, 2006 2:18 pm
Replies: 2
by forsdan » Mon Apr 24, 2006 10:51 am

2 Replies

8439 Views

Last post by cacarden
Fri Nov 03, 2006 2:18 pm
supercell optimization using stress (only the 1 direction)????

Last post by konglt « Tue Oct 31, 2006 10:30 pm
Replies: 1
by jdasilva » Tue Oct 31, 2006 7:19 pm

1 Replies

6110 Views

Last post by konglt
Tue Oct 31, 2006 10:30 pm
calculate the dipole moment due to the external electric field

Last post by nis02002 « Thu Oct 26, 2006 7:14 pm
Replies: 2
by ning » Mon Aug 22, 2005 3:50 pm

2 Replies

9407 Views

Last post by nis02002
Thu Oct 26, 2006 7:14 pm
NTV-Zero point energy

Last post by graeme « Tue Oct 24, 2006 5:22 pm
Replies: 1
by yilmaz » Tue Oct 24, 2006 4:54 pm

1 Replies

6058 Views

Last post by graeme
Tue Oct 24, 2006 5:22 pm
negative magnetic moment

Last post by admin « Tue Oct 24, 2006 1:53 pm
Replies: 1
by zhuanghl » Mon Oct 23, 2006 3:37 pm

1 Replies

6092 Views

Last post by admin
Tue Oct 24, 2006 1:53 pm
Crystal structure optimization with ISIF=3

Last post by admin « Tue Oct 24, 2006 1:51 pm
Replies: 1
by okuno » Tue Oct 24, 2006 7:05 am

1 Replies

7873 Views

Last post by admin
Tue Oct 24, 2006 1:51 pm
Magmom settings with oxygen atoms on graphite

Last post by admin « Tue Oct 24, 2006 1:40 pm
Replies: 1
by lahaye » Tue Oct 24, 2006 11:47 am

1 Replies

7767 Views

Last post by admin
Tue Oct 24, 2006 1:40 pm
band structure plotting

Last post by brocks « Sat Oct 21, 2006 1:39 pm
Replies: 1
by mssb2 » Fri Oct 20, 2006 1:13 pm

1 Replies

6673 Views

Last post by brocks
Sat Oct 21, 2006 1:39 pm
vibration mode at Gamma

Last post by miaoms « Fri Oct 20, 2006 5:25 pm
Replies: 4
by miaoms » Wed Oct 11, 2006 4:36 pm

4 Replies

9530 Views

Last post by miaoms
Fri Oct 20, 2006 5:25 pm
Total drift

Last post by The Evasperator « Fri Oct 20, 2006 2:22 pm
Replies: 3
by The Evasperator » Wed Oct 18, 2006 9:11 pm

3 Replies

9100 Views

Last post by The Evasperator
Fri Oct 20, 2006 2:22 pm
question regarding integrated DOS.

Last post by applelinux « Thu Oct 19, 2006 10:28 pm
Replies: 2
by applelinux » Thu Oct 12, 2006 9:57 pm

2 Replies

6963 Views

Last post by applelinux
Thu Oct 19, 2006 10:28 pm

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