Using VASP

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About the set of ISPIN

Last post by Veronika « Mon Jul 03, 2006 7:46 am
Replies: 1
by pqyuan » Fri Jun 30, 2006 2:48 am

1 Replies

3477 Views

Last post by Veronika
Mon Jul 03, 2006 7:46 am
units of POTIM for a vibrational calc.

Last post by admin « Fri Jun 30, 2006 12:23 pm
Replies: 1
by rpnabar » Thu Jun 29, 2006 6:26 pm

1 Replies

3790 Views

Last post by admin
Fri Jun 30, 2006 12:23 pm
PAW vs US-PP

Last post by admin « Fri Jun 30, 2006 11:48 am
Replies: 1
by Hanna » Fri Jun 30, 2006 10:06 am

1 Replies

3428 Views

Last post by admin
Fri Jun 30, 2006 11:48 am
3 Energies in OUTCAR

Last post by cpp6f « Thu Jun 29, 2006 7:11 pm
Replies: 1
by rpnabar » Thu Jun 29, 2006 2:44 pm

1 Replies

3339 Views

Last post by cpp6f
Thu Jun 29, 2006 7:11 pm
specific OUTCAR tags

Last post by rpnabar « Thu Jun 29, 2006 12:07 pm
Replies: 2
by rpnabar » Tue Jun 27, 2006 5:07 pm

2 Replies

3442 Views

Last post by rpnabar
Thu Jun 29, 2006 12:07 pm
extra term in the ewald energy expression in ebs.F?

Last post by cpp6f « Thu Jun 29, 2006 3:39 am
Replies: 1
by cpp6f » Fri May 26, 2006 9:59 pm

1 Replies

3447 Views

Last post by cpp6f
Thu Jun 29, 2006 3:39 am
NEB calculation error

Last post by konglt « Wed Jun 28, 2006 5:52 pm
Replies: 9
by ouarda » Thu Jun 15, 2006 7:27 am

9 Replies

8834 Views

Last post by konglt
Wed Jun 28, 2006 5:52 pm
parallel version

Last post by admin « Wed Jun 28, 2006 9:53 am
Replies: 1
by rpnabar » Mon Jun 26, 2006 2:02 pm

1 Replies

3042 Views

Last post by admin
Wed Jun 28, 2006 9:53 am
Confusion in assigning RWIGS in INCAR file

Last post by Veronika « Mon Jun 26, 2006 10:11 am
Replies: 1
by soumendu » Sun Jun 25, 2006 5:26 pm

1 Replies

4413 Views

Last post by Veronika
Mon Jun 26, 2006 10:11 am
Spin Spirals

Last post by wbutler « Mon Jun 26, 2006 2:42 am
Replies: 6
by manish_jain » Thu Apr 14, 2005 5:24 pm

6 Replies

14219 Views

Last post by wbutler
Mon Jun 26, 2006 2:42 am
On the electronic polarization

Last post by vasp « Sun Jun 25, 2006 4:02 am
Replies: 3
by okuno » Tue Mar 14, 2006 12:06 pm

3 Replies

6292 Views

Last post by vasp
Sun Jun 25, 2006 4:02 am
calculation for oxygen molecular

Last post by bandy « Fri Jun 23, 2006 9:21 pm
Replies: 3
by matilda » Fri Jun 09, 2006 9:57 am

3 Replies

7192 Views

Last post by bandy
Fri Jun 23, 2006 9:21 pm
formation entropy with vasp?

Last post by graeme « Fri Jun 23, 2006 3:55 pm
Replies: 2
by ouarda » Thu Jun 22, 2006 2:43 pm

2 Replies

4746 Views

Last post by graeme
Fri Jun 23, 2006 3:55 pm
Total energy calculation with different lattice symmetries

Last post by Veronika « Fri Jun 23, 2006 6:58 am
Replies: 1
by opvu » Thu Jun 22, 2006 1:41 pm

1 Replies

3909 Views

Last post by Veronika
Fri Jun 23, 2006 6:58 am
NEB calculations errors

Last post by admin « Wed Jun 21, 2006 1:49 pm
Replies: 1
by hwang4 » Sun Jun 18, 2006 9:08 pm

1 Replies

3484 Views

Last post by admin
Wed Jun 21, 2006 1:49 pm
POTCAR for H atom

Last post by admin « Wed Jun 21, 2006 1:47 pm
Replies: 2
by kawai_918 » Wed Jun 21, 2006 5:36 am

2 Replies

5723 Views

Last post by admin
Wed Jun 21, 2006 1:47 pm
How to do DFT+U calculations

Last post by admin « Wed Jun 21, 2006 1:20 pm
Replies: 2
by pett » Thu Jun 15, 2006 8:11 pm

2 Replies

5451 Views

Last post by admin
Wed Jun 21, 2006 1:20 pm
How about the charged cell calculation in studying the molecule?

Last post by admin « Wed Jun 21, 2006 1:10 pm
Replies: 1
by MDrizzle » Thu Jun 15, 2006 7:00 pm

1 Replies

3578 Views

Last post by admin
Wed Jun 21, 2006 1:10 pm
SYMPREC in cartesian or direct

Last post by admin « Wed Jun 21, 2006 1:06 pm
Replies: 2
by phtobias » Thu Jun 15, 2006 2:30 am

2 Replies

4140 Views

Last post by admin
Wed Jun 21, 2006 1:06 pm
Neb method with vasp

Last post by admin « Wed Jun 21, 2006 1:03 pm
Replies: 7
by ouarda » Thu Jun 08, 2006 3:32 pm

7 Replies

9407 Views

Last post by admin
Wed Jun 21, 2006 1:03 pm

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