Using VASP

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PROJECTED DOS

Last post by admin « Thu Feb 07, 2008 1:41 pm
Replies: 3
by abc » Wed Feb 06, 2008 12:10 pm

3 Replies

5943 Views

Last post by admin
Thu Feb 07, 2008 1:41 pm
poor geometry convergence even with accurate parameters

Last post by admin « Thu Feb 07, 2008 1:35 pm
Replies: 1
by cpp6f » Wed Feb 06, 2008 8:34 pm

1 Replies

4463 Views

Last post by admin
Thu Feb 07, 2008 1:35 pm
GGA tag

Last post by saswata « Tue Feb 05, 2008 4:17 am
Replies: 2
by saswata » Mon Feb 04, 2008 11:28 am

2 Replies

5150 Views

Last post by saswata
Tue Feb 05, 2008 4:17 am
Question about Berry's phase calculation

Last post by forsdan « Sun Feb 03, 2008 10:09 am
Replies: 3
by chorawut » Thu Nov 22, 2007 11:05 am

3 Replies

5647 Views

Last post by forsdan
Sun Feb 03, 2008 10:09 am
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

4103 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

4409 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

4967 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

6643 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

5394 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

4444 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

4631 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

6741 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

3910 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

5289 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

4817 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

4433 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

9011 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

4244 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

4421 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

5573 Views

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

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