Using VASP

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FFT mesh

Last post by admin « Wed Nov 15, 2006 4:13 pm
Replies: 2
by mssb2 » Fri Oct 27, 2006 9:01 am

2 Replies

3197 Views

Last post by admin
Wed Nov 15, 2006 4:13 pm
a little off-topic--about the cluster nodes assignment

Last post by admin « Wed Nov 15, 2006 3:33 pm
Replies: 1
by dido » Tue Nov 14, 2006 2:42 pm

1 Replies

2688 Views

Last post by admin
Wed Nov 15, 2006 3:33 pm
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

3527 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

3460 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

4006 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

3961 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

7209 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

3107 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

2750 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

2749 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

5608 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

2833 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

3235 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

3330 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

4273 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

4810 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

14165 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

5816 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

2992 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

6015 Views

Last post by bandy
Tue Nov 07, 2006 1:01 am

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