Using VASP

Moderators: Global Moderator, Moderator

New Topic

5318 topics

Page 196 of 266
- Jump to page:
Previous
1
…
194
195
196
197
198
…
266
Next

Topics

Replies

Views

Last post

optical properties calculation

Last post by zhu « Fri Nov 05, 2010 1:09 am
Replies: 2
by zhu » Tue Nov 02, 2010 1:49 am

2 Replies

1718 Views

Last post by zhu
Fri Nov 05, 2010 1:09 am
Calculation of Pressure at high temperature

Last post by Relax « Thu Nov 04, 2010 1:49 pm
Replies: 1
by mjoshi » Tue Feb 27, 2007 10:33 am

1 Replies

1267 Views

Last post by Relax
Thu Nov 04, 2010 1:49 pm
Vasp can simulate adsorption isotherm for molecules adsorption on zeolites?

Last post by admin « Thu Nov 04, 2010 12:37 pm
Replies: 1
by cenwanglai » Thu Nov 04, 2010 2:15 am

1 Replies

1623 Views

Last post by admin
Thu Nov 04, 2010 12:37 pm
How to calculate binding energy

Last post by admin « Thu Nov 04, 2010 12:32 pm
Replies: 1
by srinubarc » Tue Oct 05, 2010 8:34 am

1 Replies

2765 Views

Last post by admin
Thu Nov 04, 2010 12:32 pm
How to improve the accurancy for IBRION = 8 calculations

Last post by admin « Wed Nov 03, 2010 10:35 am
Replies: 1
by hongjw » Thu Oct 28, 2010 2:31 pm

1 Replies

1529 Views

Last post by admin
Wed Nov 03, 2010 10:35 am
Partially strained cell

Last post by admin « Wed Nov 03, 2010 9:59 am
Replies: 1
by magal » Sat Oct 30, 2010 12:22 pm

1 Replies

1025 Views

Last post by admin
Wed Nov 03, 2010 9:59 am
PBE calculations

Last post by apple « Tue Nov 02, 2010 11:19 pm
Replies: 2
by apple » Tue Nov 02, 2010 4:16 pm

2 Replies

1809 Views

Last post by apple
Tue Nov 02, 2010 11:19 pm
HSE band structure

Last post by dhfphysics « Sat Oct 30, 2010 6:51 am
Replies: 2
by ashwin » Mon Dec 21, 2009 9:25 pm

2 Replies

3827 Views

Last post by dhfphysics
Sat Oct 30, 2010 6:51 am
Time taken for scf cycle

Last post by admin « Fri Oct 29, 2010 12:55 pm
Replies: 1
by neo » Thu Sep 30, 2010 4:03 am

1 Replies

1160 Views

Last post by admin
Fri Oct 29, 2010 12:55 pm
POSCAR for layered structures in VASP : different lattice parameters in the same POSCAR?

Last post by admin « Fri Oct 29, 2010 12:29 pm
Replies: 2
by cja » Thu Oct 28, 2010 9:41 am

2 Replies

2192 Views

Last post by admin
Fri Oct 29, 2010 12:29 pm
Single atom transition metal energy...

Last post by admin « Fri Oct 29, 2010 12:23 pm
Replies: 1
by pdalach » Thu Oct 28, 2010 3:24 pm

1 Replies

2715 Views

Last post by admin
Fri Oct 29, 2010 12:23 pm
Adsorption on a semiconductor surface

Last post by admin « Fri Oct 29, 2010 11:57 am
Replies: 1
by kambiz » Mon Oct 18, 2010 4:40 am

1 Replies

1430 Views

Last post by admin
Fri Oct 29, 2010 11:57 am
Fermi surface plot by PROCAR file?

Last post by admin « Fri Oct 29, 2010 11:46 am
Replies: 1
by riche » Mon Oct 18, 2010 6:11 pm

1 Replies

2258 Views

Last post by admin
Fri Oct 29, 2010 11:46 am
Density of empty states sensitive to NBANDS parameter

Last post by forsdan « Thu Oct 28, 2010 5:45 pm
Replies: 3
by ye » Tue Oct 19, 2010 9:16 pm

3 Replies

1830 Views

Last post by forsdan
Thu Oct 28, 2010 5:45 pm
POSCAR file for truncated octahedron

Last post by AB « Wed Oct 27, 2010 1:19 pm
Replies: 2
by AB » Wed Oct 27, 2010 8:39 am

2 Replies

1662 Views

Last post by AB
Wed Oct 27, 2010 1:19 pm
How to calculate DOS for Molecule??

Last post by alex « Mon Oct 25, 2010 2:11 pm
Replies: 1
by mharis » Mon Oct 25, 2010 1:19 pm

1 Replies

1630 Views

Last post by alex
Mon Oct 25, 2010 2:11 pm
WAVECAR file

Last post by forsdan « Mon Oct 25, 2010 11:51 am
Replies: 1
by neo » Mon Oct 25, 2010 11:42 am

1 Replies

1161 Views

Last post by forsdan
Mon Oct 25, 2010 11:51 am
frequency calculations?

Last post by forsdan « Mon Oct 25, 2010 11:12 am
Replies: 2
by Imran » Sat Oct 23, 2010 8:58 pm

2 Replies

1655 Views

Last post by forsdan
Mon Oct 25, 2010 11:12 am
VASP running problem : rtc_invalidate error

Last post by forsdan « Sun Oct 24, 2010 10:06 am
Replies: 5
by prithwish » Sat Dec 19, 2009 6:39 am

5 Replies

2485 Views

Last post by forsdan
Sun Oct 24, 2010 10:06 am
about the weak interactions

Last post by forsdan « Wed Oct 20, 2010 10:58 am
Replies: 1
by lgxyz » Wed Oct 20, 2010 6:46 am

1 Replies

1355 Views

Last post by forsdan
Wed Oct 20, 2010 10:58 am

New Topic

5318 topics

Page 196 of 266
- Jump to page:
Previous
1
…
194
195
196
197
198
…
266
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