Using VASP

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GGA+U

Last post by admin « Fri Feb 01, 2008 1:33 pm
Replies: 1
by ts25 » Wed Jan 30, 2008 4:18 pm

1 Replies

3991 Views

Last post by admin
Fri Feb 01, 2008 1:33 pm
Energy change during optimization

Last post by admin « Wed Jan 30, 2008 1:58 pm
Replies: 1
by hfruchtl » Wed Jan 30, 2008 11:18 am

1 Replies

4279 Views

Last post by admin
Wed Jan 30, 2008 1:58 pm
...DOSCAR with non-collinear calculations...

Last post by admin « Wed Jan 30, 2008 9:44 am
Replies: 1
by brocks » Mon Jan 28, 2008 2:54 pm

1 Replies

4821 Views

Last post by admin
Wed Jan 30, 2008 9:44 am
normalization electronic density of states

Last post by admin « Wed Jan 30, 2008 9:33 am
Replies: 1
by ahromero » Tue Jan 29, 2008 10:58 pm

1 Replies

6347 Views

Last post by admin
Wed Jan 30, 2008 9:33 am
Units of stress tensor in vasprun.xml

Last post by admin « Mon Jan 28, 2008 12:55 pm
Replies: 1
by michaeleric.williams » Thu Jan 24, 2008 1:55 pm

1 Replies

5251 Views

Last post by admin
Mon Jan 28, 2008 12:55 pm
POTCAR

Last post by admin « Mon Jan 28, 2008 12:01 pm
Replies: 1
by saswata » Fri Jan 18, 2008 10:48 am

1 Replies

4308 Views

Last post by admin
Mon Jan 28, 2008 12:01 pm
selective relaxation of cell parameters

Last post by admin « Mon Jan 28, 2008 10:33 am
Replies: 1
by rgc » Thu Jan 17, 2008 7:45 am

1 Replies

4496 Views

Last post by admin
Mon Jan 28, 2008 10:33 am
Convergence problem

Last post by admin « Mon Jan 28, 2008 10:03 am
Replies: 2
by dan » Tue Jan 15, 2008 4:13 pm

2 Replies

6538 Views

Last post by admin
Mon Jan 28, 2008 10:03 am
Please give me your help.

Last post by admin « Mon Jan 28, 2008 9:55 am
Replies: 1
by matylove » Tue Jan 15, 2008 1:50 pm

1 Replies

3790 Views

Last post by admin
Mon Jan 28, 2008 9:55 am
NBO

Last post by admin « Mon Jan 28, 2008 9:51 am
Replies: 1
by minyork » Mon Jan 14, 2008 4:21 pm

1 Replies

5166 Views

Last post by admin
Mon Jan 28, 2008 9:51 am
About Smearing Methods for small gap materials

Last post by admin « Mon Jan 28, 2008 9:50 am
Replies: 1
by cyc99 » Tue Jan 08, 2008 8:33 pm

1 Replies

4673 Views

Last post by admin
Mon Jan 28, 2008 9:50 am
L(S)DA+U and charge disproportionation problem

Last post by admin « Mon Jan 28, 2008 9:48 am
Replies: 1
by againsmile » Tue Jan 08, 2008 8:05 pm

1 Replies

4300 Views

Last post by admin
Mon Jan 28, 2008 9:48 am
external pressure

Last post by centauris « Tue Jan 15, 2008 12:30 am
Replies: 3
by lsam » Wed Jan 02, 2008 3:42 pm

3 Replies

8796 Views

Last post by centauris
Tue Jan 15, 2008 12:30 am
Error

Last post by forsdan « Thu Jan 03, 2008 3:42 pm
Replies: 1
by mumu03101 » Fri Dec 28, 2007 12:03 pm

1 Replies

4116 Views

Last post by forsdan
Thu Jan 03, 2008 3:42 pm
VASP convergence

Last post by admin « Thu Jan 03, 2008 10:35 am
Replies: 1
by saswata » Mon Dec 31, 2007 6:31 am

1 Replies

4294 Views

Last post by admin
Thu Jan 03, 2008 10:35 am
how do translate PROCAR into COOP?

Last post by xiaomatao « Thu Jan 03, 2008 1:50 am
Replies: 2
by shb_xtu » Tue Jan 01, 2008 12:30 pm

2 Replies

5392 Views

Last post by xiaomatao
Thu Jan 03, 2008 1:50 am
surface stress

Last post by vasp « Thu Dec 27, 2007 8:03 am
Replies: 3
by vasp » Fri Nov 09, 2007 2:33 pm

3 Replies

6501 Views

Last post by vasp
Thu Dec 27, 2007 8:03 am
about monopole correction

Last post by crazyweed « Mon Dec 24, 2007 2:35 am
Replies: 2
by crazyweed » Fri Dec 14, 2007 4:17 pm

2 Replies

5523 Views

Last post by crazyweed
Mon Dec 24, 2007 2:35 am
magnatization

Last post by chandre « Sat Dec 22, 2007 7:40 pm
Replies: 5
by chandre » Sun Dec 16, 2007 5:51 am

5 Replies

7236 Views

Last post by chandre
Sat Dec 22, 2007 7:40 pm
How to set reasonable and high efficiency NPAR:?

Last post by wlyim « Fri Dec 21, 2007 10:16 am
Replies: 1
by chenweiguang » Thu Dec 13, 2007 4:30 am

1 Replies

3930 Views

Last post by wlyim
Fri Dec 21, 2007 10:16 am

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