Using VASP

Moderators: Global Moderator, Moderator

New Topic

5409 topics

Page 259 of 271
- Jump to page:
Previous
1
…
257
258
259
260
261
…
271
Next

Topics

Replies

Views

Last post

Zero Point energy

Last post by tjf « Mon Aug 14, 2006 10:20 am
Replies: 1
by des » Sun Aug 13, 2006 9:11 pm

1 Replies

4196 Views

Last post by tjf
Mon Aug 14, 2006 10:20 am
SURFACE CONSTRUCTION

Last post by konglt « Fri Aug 11, 2006 6:29 pm
Replies: 2
by bandy » Thu Aug 10, 2006 6:01 pm

2 Replies

3823 Views

Last post by konglt
Fri Aug 11, 2006 6:29 pm
bulk modulus

Last post by wdv « Thu Aug 10, 2006 4:43 pm
Replies: 1
by loschen » Mon Aug 07, 2006 2:54 pm

1 Replies

3722 Views

Last post by wdv
Thu Aug 10, 2006 4:43 pm
Vibration calculation - Increased computer time

Last post by tjf « Thu Aug 10, 2006 12:32 pm
Replies: 3
by forsdan » Wed Aug 09, 2006 8:01 am

3 Replies

4058 Views

Last post by tjf
Thu Aug 10, 2006 12:32 pm
Dipole correction and forces

Last post by admin « Thu Aug 10, 2006 11:07 am
Replies: 1
by Vlad » Tue Aug 08, 2006 5:36 pm

1 Replies

3608 Views

Last post by admin
Thu Aug 10, 2006 11:07 am
Question on total energy of free atom.

Last post by admin « Thu Aug 10, 2006 10:53 am
Replies: 4
by lahaye » Mon Aug 07, 2006 5:09 am

4 Replies

4844 Views

Last post by admin
Thu Aug 10, 2006 10:53 am
SCF convergence

Last post by admin « Thu Aug 10, 2006 9:44 am
Replies: 3
by neeti » Tue Aug 01, 2006 3:20 pm

3 Replies

4887 Views

Last post by admin
Thu Aug 10, 2006 9:44 am
What is the direction of the external electric field?

Last post by admin « Tue Aug 08, 2006 1:57 pm
Replies: 2
by Sharani » Mon Aug 07, 2006 4:48 pm

2 Replies

4719 Views

Last post by admin
Tue Aug 08, 2006 1:57 pm
about band structure

Last post by admin « Tue Aug 08, 2006 1:54 pm
Replies: 1
by hehui » Tue Aug 08, 2006 12:27 am

1 Replies

3379 Views

Last post by admin
Tue Aug 08, 2006 1:54 pm
Calculation of Dipole Moment

Last post by bandy « Tue Aug 08, 2006 5:28 am
Replies: 1
by Sharani » Wed Aug 02, 2006 2:35 pm

1 Replies

4237 Views

Last post by bandy
Tue Aug 08, 2006 5:28 am
How to calculate accurate binding energy between atom and large system?

Last post by tjf « Mon Aug 07, 2006 9:48 am
Replies: 9
by lahaye » Fri Aug 04, 2006 6:20 am

9 Replies

10734 Views

Last post by tjf
Mon Aug 07, 2006 9:48 am
about free energy

Last post by admin « Mon Aug 07, 2006 9:08 am
Replies: 1
by hehui » Mon Aug 07, 2006 6:49 am

1 Replies

4273 Views

Last post by admin
Mon Aug 07, 2006 9:08 am
Charged cluster optimization problem

Last post by Vlad « Fri Aug 04, 2006 2:06 pm
Replies: 2
by Vlad » Fri Aug 04, 2006 6:42 am

2 Replies

3808 Views

Last post by Vlad
Fri Aug 04, 2006 2:06 pm
How to calculate the charge density of spin-up electrons?

Last post by admin « Fri Aug 04, 2006 1:10 pm
Replies: 1
by MDrizzle » Wed Aug 02, 2006 6:33 pm

1 Replies

3374 Views

Last post by admin
Fri Aug 04, 2006 1:10 pm
How to calculate the total energy of bulk Ni in the paramagnetic state?

Last post by admin « Tue Aug 01, 2006 1:52 pm
Replies: 1
by hlzya » Mon Jul 31, 2006 7:28 am

1 Replies

3535 Views

Last post by admin
Tue Aug 01, 2006 1:52 pm
A strange problem!!!

Last post by admin « Tue Aug 01, 2006 1:06 pm
Replies: 1
by zhuanghl » Mon Jul 31, 2006 5:28 am

1 Replies

3318 Views

Last post by admin
Tue Aug 01, 2006 1:06 pm
Energy calculation in the presence of an external electric field

Last post by Sharani « Mon Jul 24, 2006 3:28 pm
Replies: 2
by Sharani » Fri Jul 21, 2006 8:52 pm

2 Replies

4420 Views

Last post by Sharani
Mon Jul 24, 2006 3:28 pm
negative charge density values

Last post by pmignon « Mon Jul 24, 2006 2:10 pm
Replies: 3
by pmignon » Mon Jul 03, 2006 11:36 am

3 Replies

4681 Views

Last post by pmignon
Mon Jul 24, 2006 2:10 pm
MAGMOM and afm

Last post by admin « Mon Jul 24, 2006 11:38 am
Replies: 1
by Tyx » Sun Jul 23, 2006 2:31 am

1 Replies

3560 Views

Last post by admin
Mon Jul 24, 2006 11:38 am
How set DIPOL for the case Berry phase calculation

Last post by okuno « Mon Jul 24, 2006 9:21 am
Replies: 2
by okuno » Fri Jul 21, 2006 4:19 am

2 Replies

5432 Views

Last post by okuno
Mon Jul 24, 2006 9:21 am

New Topic

5409 topics

Page 259 of 271
- Jump to page:
Previous
1
…
257
258
259
260
261
…
271
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