Using VASP

Moderators: Global Moderator, Moderator

New Topic

5828 topics

Page 250 of 292
- Jump to page:
Previous
1
…
248
249
250
251
252
…
292
Next

Topics

Replies

Views

Last post

Vacuum potential for carbon nanotubes

Last post by admin « Mon Sep 22, 2008 11:07 am
Replies: 3
by vasplover » Wed Sep 17, 2008 7:32 pm

3 Replies

5517 Views

Last post by admin
Mon Sep 22, 2008 11:07 am
aligning DOS plots

Last post by admin « Mon Sep 22, 2008 11:06 am
Replies: 3
by rgc » Fri Sep 19, 2008 12:14 pm

3 Replies

4945 Views

Last post by admin
Mon Sep 22, 2008 11:06 am
How to control the INCAR tags to get the accurate DOSCAR in interface structure?

Last post by admin « Fri Sep 19, 2008 12:14 pm
Replies: 1
by ssaicoda » Fri Sep 19, 2008 1:21 am

1 Replies

4185 Views

Last post by admin
Fri Sep 19, 2008 12:14 pm
transition state problem

Last post by admin « Wed Sep 17, 2008 2:53 pm
Replies: 1
by rghomari » Tue Sep 16, 2008 9:34 pm

1 Replies

3655 Views

Last post by admin
Wed Sep 17, 2008 2:53 pm
Convergence problem

Last post by Jiaye Li « Tue Sep 16, 2008 3:41 am
Replies: 2
by Jiaye Li » Fri Sep 12, 2008 1:55 am

2 Replies

4797 Views

Last post by Jiaye Li
Tue Sep 16, 2008 3:41 am
the same irreducible k-points when setting different KPOINTS?

Last post by linglin « Fri Sep 12, 2008 12:16 pm
Replies: 2
by linglin » Fri Sep 12, 2008 2:37 am

2 Replies

4886 Views

Last post by linglin
Fri Sep 12, 2008 12:16 pm
Error EDDDAV: Call to ZHEGV failed (molecule adsorbed on M(111) surface)

Last post by admin « Fri Sep 12, 2008 11:10 am
Replies: 1
by Agalya » Thu Sep 11, 2008 5:11 pm

1 Replies

5193 Views

Last post by admin
Fri Sep 12, 2008 11:10 am
How to choose ENCUT?

Last post by linglin « Fri Sep 12, 2008 5:01 am
Replies: 3
by linglin » Tue Sep 09, 2008 7:10 am

3 Replies

9777 Views

Last post by linglin
Fri Sep 12, 2008 5:01 am
About the DOS generated by VASP code

Last post by admin « Wed Sep 10, 2008 9:36 am
Replies: 1
by MDrizzle » Wed Sep 10, 2008 7:42 am

1 Replies

3830 Views

Last post by admin
Wed Sep 10, 2008 9:36 am
the format of WAVECAR in vasp 4.5.* and vasp.4.6.*

Last post by admin « Wed Sep 10, 2008 9:35 am
Replies: 1
by deltz » Mon Sep 08, 2008 1:35 pm

1 Replies

4179 Views

Last post by admin
Wed Sep 10, 2008 9:35 am
sadle point optimization problem

Last post by admin « Wed Sep 10, 2008 9:30 am
Replies: 1
by rghomari » Tue Sep 09, 2008 5:15 pm

1 Replies

3672 Views

Last post by admin
Wed Sep 10, 2008 9:30 am
problem with restart/electronic convergence

Last post by admin « Mon Sep 08, 2008 1:39 pm
Replies: 1
by Charles W. Bauschlicher » Thu Sep 04, 2008 4:43 pm

1 Replies

4270 Views

Last post by admin
Mon Sep 08, 2008 1:39 pm
Big total drift

Last post by admin « Wed Sep 03, 2008 1:37 pm
Replies: 2
by Agalya » Tue Sep 02, 2008 2:06 pm

2 Replies

5808 Views

Last post by admin
Wed Sep 03, 2008 1:37 pm
Parameters in OUTCAR different from those in INCAR

Last post by physicalattraction « Fri Aug 29, 2008 11:12 am
Replies: 2
by physicalattraction » Mon Aug 25, 2008 9:19 am

2 Replies

5568 Views

Last post by physicalattraction
Fri Aug 29, 2008 11:12 am
TEBEG & TEEND

Last post by admin « Tue Aug 26, 2008 11:03 am
Replies: 1
by TAT » Wed Aug 20, 2008 10:14 pm

1 Replies

4173 Views

Last post by admin
Tue Aug 26, 2008 11:03 am
optimization

Last post by admin « Tue Aug 26, 2008 10:43 am
Replies: 1
by linglin » Tue Aug 26, 2008 2:12 am

1 Replies

3782 Views

Last post by admin
Tue Aug 26, 2008 10:43 am
Static calculation doesn't yield a close result to the previous relaxation run.

Last post by forsdan « Fri Aug 22, 2008 5:18 am
Replies: 1
by mikehp » Thu Aug 21, 2008 9:58 pm

1 Replies

4916 Views

Last post by forsdan
Fri Aug 22, 2008 5:18 am
Relaxation at different energy cutoffs

Last post by admin « Mon Aug 18, 2008 12:41 pm
Replies: 1
by physicalattraction » Thu Aug 14, 2008 12:33 pm

1 Replies

3922 Views

Last post by admin
Mon Aug 18, 2008 12:41 pm
how to prepare a poscar file for dug molecules.

Last post by fullerene « Fri Aug 15, 2008 4:14 pm
Replies: 3
by gaurav » Fri Aug 01, 2008 1:14 pm

3 Replies

5722 Views

Last post by fullerene
Fri Aug 15, 2008 4:14 pm
Explicit k-points for older VASP version

Last post by mrm « Wed Aug 13, 2008 8:33 pm
Replies: 2
by mrm » Thu Aug 07, 2008 11:17 pm

2 Replies

4522 Views

Last post by mrm
Wed Aug 13, 2008 8:33 pm

New Topic

5828 topics

Page 250 of 292
- Jump to page:
Previous
1
…
248
249
250
251
252
…
292
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