Using VASP

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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

6305 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

7831 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

24621 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

12179 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

12603 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

9295 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

7442 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

7256 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

10161 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

9736 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

7188 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

8721 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

19214 Views

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

Last post by forsdan « Wed Jun 21, 2006 9:10 am
Replies: 4
by forsdan » Sat Jun 17, 2006 6:23 pm

4 Replies

11190 Views

Last post by forsdan
Wed Jun 21, 2006 9:10 am
how to calculate frequency intensity in vasp

Last post by bandy « Tue Jun 20, 2006 2:03 am
Replies: 4
by landscy12 » Fri Jun 09, 2006 10:06 am

4 Replies

11704 Views

Last post by bandy
Tue Jun 20, 2006 2:03 am
cluster manipulation GUI

Last post by tjf « Thu Jun 15, 2006 9:13 am
Replies: 1
by rpnabar » Wed Jun 14, 2006 11:58 pm

1 Replies

6952 Views

Last post by tjf
Thu Jun 15, 2006 9:13 am
NEB result analysis problems

Last post by konglt « Wed Jun 14, 2006 12:17 pm
Replies: 3
by hwang4 » Mon Jun 12, 2006 11:51 pm

3 Replies

12473 Views

Last post by konglt
Wed Jun 14, 2006 12:17 pm
non-magnetic run with LDA+U

Last post by windiks « Wed Jun 14, 2006 9:10 am
Replies: 1
by brsahu » Mon May 08, 2006 12:08 am

1 Replies

9820 Views

Last post by windiks
Wed Jun 14, 2006 9:10 am
TOTAL ENERGY IN VASP PRGRAM

Last post by itomasa « Wed Jun 14, 2006 7:06 am
Replies: 2
by itomasa » Fri Jun 02, 2006 12:32 pm

2 Replies

11061 Views

Last post by itomasa
Wed Jun 14, 2006 7:06 am
calculation regarding n-type or p-type semiconductors

Last post by MDrizzle « Tue Jun 13, 2006 7:26 pm
Replies: 2
by MDrizzle » Tue Jun 06, 2006 5:57 pm

2 Replies

8374 Views

Last post by MDrizzle
Tue Jun 13, 2006 7:26 pm

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