Using VASP

Moderators: Global Moderator, Moderator

New Topic

5388 topics

Page 187 of 270
- Jump to page:
Previous
1
…
185
186
187
188
189
…
270
Next

Topics

Replies

Views

Last post

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

4530 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

1540 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

1644 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

5836 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

1406 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

3296 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

2168 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

1743 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

1618 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

1678 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

1152 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

1721 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

1045 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

2299 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

1586 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

3923 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

1233 Views

Last post by jlbettis
Tue Aug 23, 2011 7:27 pm
Memory issue for spin-polarized calculation

Last post by alex « Tue Aug 23, 2011 5:42 pm
Replies: 1
by CStar » Tue Aug 23, 2011 5:09 pm

1 Replies

1656 Views

Last post by alex
Tue Aug 23, 2011 5:42 pm
Routine ZPOTRF failed!

Last post by dhfphysics « Mon Aug 22, 2011 9:55 am
Replies: 4
by jlrch » Fri Mar 17, 2006 11:57 am

4 Replies

6335 Views

Last post by dhfphysics
Mon Aug 22, 2011 9:55 am
non-zero charge in vacuum in PARCHG

Last post by satish2414 « Sun Aug 21, 2011 4:24 pm
Replies: 3
by brocks » Thu Nov 02, 2006 12:12 pm

3 Replies

2157 Views

Last post by satish2414
Sun Aug 21, 2011 4:24 pm

New Topic

5388 topics

Page 187 of 270
- Jump to page:
Previous
1
…
185
186
187
188
189
…
270
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