Using VASP

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DOSCAR file for LORBIT=11

Last post by admin « Tue Nov 14, 2006 3:06 pm
Replies: 1
by brocks » Thu Nov 09, 2006 2:36 pm

1 Replies

7118 Views

Last post by admin
Tue Nov 14, 2006 3:06 pm
About local magnetic moment and total charge of ions

Last post by admin « Tue Nov 14, 2006 3:04 pm
Replies: 1
by lunmei » Wed Nov 08, 2006 5:58 pm

1 Replies

2987 Views

Last post by admin
Tue Nov 14, 2006 3:04 pm
fixed cell angles during cell relaxation

Last post by admin « Tue Nov 14, 2006 3:01 pm
Replies: 1
by jk2 » Wed Nov 08, 2006 2:51 pm

1 Replies

2672 Views

Last post by admin
Tue Nov 14, 2006 3:01 pm
LREAL flag

Last post by admin « Tue Nov 14, 2006 2:54 pm
Replies: 1
by proffess » Tue Nov 07, 2006 11:05 pm

1 Replies

2651 Views

Last post by admin
Tue Nov 14, 2006 2:54 pm
How to set RWIGS

Last post by admin « Tue Nov 14, 2006 2:46 pm
Replies: 3
by Tian » Mon Nov 06, 2006 3:46 am

3 Replies

5415 Views

Last post by admin
Tue Nov 14, 2006 2:46 pm
....blocks of dates in CHGCAR and PARCHG files....

Last post by admin « Tue Nov 14, 2006 2:15 pm
Replies: 1
by brocks » Fri Nov 03, 2006 4:48 pm

1 Replies

2732 Views

Last post by admin
Tue Nov 14, 2006 2:15 pm
about KPOINT setting in PARCHG calculation

Last post by admin « Tue Nov 14, 2006 10:29 am
Replies: 1
by jankey » Fri Oct 27, 2006 9:26 am

1 Replies

3125 Views

Last post by admin
Tue Nov 14, 2006 10:29 am
How to find the easy axis of magnetic moment

Last post by admin « Tue Nov 14, 2006 10:01 am
Replies: 1
by okuno » Thu Oct 26, 2006 4:07 pm

1 Replies

3237 Views

Last post by admin
Tue Nov 14, 2006 10:01 am
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

4121 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

4660 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

13640 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

5653 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

2907 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

5878 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

2778 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

3175 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

4088 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

3970 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

2977 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

5020 Views

Last post by nis02002
Thu Oct 26, 2006 7:14 pm

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