Using VASP

Moderators: Moderator, Global Moderator

New Topic

5890 topics

Page 212 of 295
- Jump to page:
Previous
1
…
210
211
212
213
214
…
295
Next

Topics

Replies

Views

Last post

Relaxation based on forces in only one direction

Last post by biswaranjandash « Fri Sep 16, 2011 4:24 am
Replies: 3
by lindmana » Tue Sep 13, 2011 1:20 pm

3 Replies

6191 Views

Last post by biswaranjandash
Fri Sep 16, 2011 4:24 am
starting NonCollinear NEB calculations

Last post by Neutrino « Wed Sep 14, 2011 8:11 pm
Replies: 1
by Neutrino » Wed Sep 14, 2011 8:05 pm

1 Replies

2779 Views

Last post by Neutrino
Wed Sep 14, 2011 8:11 pm
Bulk Charge State, Correcting for the Supercell charge interaction

Last post by Neutrino « Wed Sep 14, 2011 7:53 pm
Replies: 1
by mff7d » Wed Sep 14, 2011 3:47 am

1 Replies

3253 Views

Last post by Neutrino
Wed Sep 14, 2011 7:53 pm
Gibb's Free energy and Chemical Potential

Last post by vistawanted « Wed Sep 14, 2011 6:10 am
Replies: 2
by sharma » Mon Sep 05, 2011 5:16 am

2 Replies

6966 Views

Last post by vistawanted
Wed Sep 14, 2011 6:10 am
Relaxation of atoms in one direction [MedeA]

Last post by biswaranjandash « Sat Sep 10, 2011 3:42 am
Replies: 2
by biswaranjandash » Wed Aug 31, 2011 8:08 pm

2 Replies

3679 Views

Last post by biswaranjandash
Sat Sep 10, 2011 3:42 am
metal's ion

Last post by sharma « Fri Sep 09, 2011 8:00 am
Replies: 4
by Alice » Fri Sep 02, 2011 2:12 pm

4 Replies

4370 Views

Last post by sharma
Fri Sep 09, 2011 8:00 am
Surface energy calculation

Last post by forsdan « Tue Sep 06, 2011 11:25 pm
Replies: 1
by sharma » Tue Sep 06, 2011 6:55 am

1 Replies

8288 Views

Last post by forsdan
Tue Sep 06, 2011 11:25 pm
Surface Termination

Last post by sharma « Mon Sep 05, 2011 5:47 am
Replies: 2
by sharma » Fri Sep 02, 2011 1:43 pm

2 Replies

3494 Views

Last post by sharma
Mon Sep 05, 2011 5:47 am
How to calculate surface energy of alloy ?

Last post by sharma « Mon Sep 05, 2011 5:03 am
Replies: 2
by weizz » Sun Aug 09, 2009 7:33 am

2 Replies

5520 Views

Last post by sharma
Mon Sep 05, 2011 5:03 am
dipol+quadrupol energy correction too large

Last post by admin « Wed Aug 31, 2011 4:48 pm
Replies: 1
by zsoltrak » Thu Aug 11, 2011 8:28 pm

1 Replies

4113 Views

Last post by admin
Wed Aug 31, 2011 4:48 pm
Negative work function

Last post by admin « Wed Aug 31, 2011 4:46 pm
Replies: 2
by ukponga » Wed Aug 03, 2011 6:09 pm

2 Replies

3822 Views

Last post by admin
Wed Aug 31, 2011 4:46 pm
Total Self Consistent Potential from Medea-VASP

Last post by admin « Wed Aug 31, 2011 4:41 pm
Replies: 1
by ukponga » Wed Aug 03, 2011 4:16 pm

1 Replies

3319 Views

Last post by admin
Wed Aug 31, 2011 4:41 pm
Rotation for local coordinates

Last post by admin « Wed Aug 31, 2011 4:34 pm
Replies: 1
by leostorm10 » Tue Aug 16, 2011 8:11 pm

1 Replies

3757 Views

Last post by admin
Wed Aug 31, 2011 4:34 pm
New functionals and their keywords

Last post by admin « Wed Aug 31, 2011 4:32 pm
Replies: 1
by Dr Vitaly V. G. Chaban » Wed Aug 24, 2011 1:09 am

1 Replies

2707 Views

Last post by admin
Wed Aug 31, 2011 4:32 pm
Relaxing problem for Pd cluster (2atoms)

Last post by admin « Wed Aug 31, 2011 4:29 pm
Replies: 1
by s9811016 » Wed Aug 24, 2011 1:51 pm

1 Replies

3644 Views

Last post by admin
Wed Aug 31, 2011 4:29 pm
A molecule in a large system. Convergence

Last post by admin « Wed Aug 31, 2011 4:26 pm
Replies: 1
by Dr Vitaly V. G. Chaban » Fri Aug 26, 2011 8:03 pm

1 Replies

2623 Views

Last post by admin
Wed Aug 31, 2011 4:26 pm
Why the CHGCAR is negative?

Last post by Danny « Sat Aug 27, 2011 11:32 pm
Replies: 1
by yiranwang » Fri Aug 26, 2011 6:04 am

1 Replies

4118 Views

Last post by Danny
Sat Aug 27, 2011 11:32 pm
problem with phonon calculation with IBRION=8

Last post by rgc « Sat Aug 27, 2011 8:42 pm
Replies: 1
by rgc » Mon Aug 22, 2011 6:42 pm

1 Replies

3371 Views

Last post by rgc
Sat Aug 27, 2011 8:42 pm
How to inter the MAGMOM tag in a noncollinear calculation?

Last post by jlbettis « Thu Aug 25, 2011 8:04 pm
Replies: 3
by mxiangying » Sat Aug 20, 2011 3:04 pm

3 Replies

6751 Views

Last post by jlbettis
Thu Aug 25, 2011 8:04 pm
Why ICHARG=11 also need many electronic loops?

Last post by jlbettis « Tue Aug 23, 2011 7:27 pm
Replies: 1
by gbliu » Wed Aug 17, 2011 7:37 pm

1 Replies

2968 Views

Last post by jlbettis
Tue Aug 23, 2011 7:27 pm

New Topic

5890 topics

Page 212 of 295
- Jump to page:
Previous
1
…
210
211
212
213
214
…
295
Next

Return to Board Index

Forum permissions

You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum