Using VASP

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magnetic moment optimization

Last post by bandy « Wed Nov 15, 2006 1:38 pm
Replies: 2
by mssb2 » Fri Oct 27, 2006 9:46 am

2 Replies

3354 Views

Last post by bandy
Wed Nov 15, 2006 1:38 pm
Young modulus ?

Last post by admin « Wed Nov 15, 2006 12:59 pm
Replies: 1
by tfujita » Wed Nov 08, 2006 4:50 am

1 Replies

3314 Views

Last post by admin
Wed Nov 15, 2006 12:59 pm
magnetization and magnetic moment.

Last post by admin « Wed Nov 15, 2006 12:56 pm
Replies: 1
by Gilles » Fri Nov 03, 2006 3:48 pm

1 Replies

3845 Views

Last post by admin
Wed Nov 15, 2006 12:56 pm
add alpha+bet to get absolut eigen values (Band offset)

Last post by jdasilva « Tue Nov 14, 2006 7:23 pm
Replies: 2
by jdasilva » Sat Nov 04, 2006 4:33 am

2 Replies

3831 Views

Last post by jdasilva
Tue Nov 14, 2006 7:23 pm
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

7092 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

2953 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

2646 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

2626 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

5366 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

2712 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

3102 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

3204 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

4084 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

4616 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

13542 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

5600 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

2881 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

5845 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

2752 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

3139 Views

Last post by hong123ok
Fri Nov 03, 2006 7:50 pm

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