Using VASP

Moderators: Global Moderator, Moderator

New Topic

5317 topics

Page 227 of 266
- Jump to page:
Previous
1
…
225
226
227
228
229
…
266
Next

Topics

Replies

Views

Last post

Bulk Lattice constant:by Fitting or Relaxtion ?

Last post by gpkmohan « Tue Jul 08, 2008 1:55 pm
Replies: 2
by gpkmohan » Mon Jul 07, 2008 7:07 pm

2 Replies

4075 Views

Last post by gpkmohan
Tue Jul 08, 2008 1:55 pm
What is "reduce length" in the stress tensor units?

Last post by hortophilus « Tue Jul 08, 2008 8:59 am
Replies: 2
by hortophilus » Fri Jul 04, 2008 10:29 am

2 Replies

2214 Views

Last post by hortophilus
Tue Jul 08, 2008 8:59 am
Stress Tensor

Last post by pmignon « Mon Jul 07, 2008 9:49 pm
Replies: 2
by pmignon » Mon Jul 07, 2008 3:17 pm

2 Replies

3508 Views

Last post by pmignon
Mon Jul 07, 2008 9:49 pm
Lattice parameter optimization

Last post by Jiaye Li « Mon Jul 07, 2008 7:53 am
Replies: 2
by Jiaye Li » Thu Jul 03, 2008 12:27 pm

2 Replies

4289 Views

Last post by Jiaye Li
Mon Jul 07, 2008 7:53 am
NEB convergence problem

Last post by Haley « Thu Jul 03, 2008 7:33 am
Replies: 1
by mff7d » Thu Jul 03, 2008 5:33 am

1 Replies

3822 Views

Last post by Haley
Thu Jul 03, 2008 7:33 am
LAECHG tag to get all-electron density

Last post by admin « Wed Jul 02, 2008 1:40 pm
Replies: 2
by ssharifz » Mon Mar 26, 2007 11:00 pm

2 Replies

6112 Views

Last post by admin
Wed Jul 02, 2008 1:40 pm
Visualize wave function

Last post by admin « Wed Jul 02, 2008 1:20 pm
Replies: 1
by abalone » Mon Jun 30, 2008 11:52 pm

1 Replies

2386 Views

Last post by admin
Wed Jul 02, 2008 1:20 pm
About the PBE-PAW potential

Last post by MDrizzle « Tue Jul 01, 2008 5:45 am
Replies: 2
by MDrizzle » Thu Jun 26, 2008 5:26 am

2 Replies

2027 Views

Last post by MDrizzle
Tue Jul 01, 2008 5:45 am
Charge-state effect

Last post by admin « Mon Jun 23, 2008 7:55 pm
Replies: 1
by Amit » Fri Jun 20, 2008 4:49 pm

1 Replies

2218 Views

Last post by admin
Mon Jun 23, 2008 7:55 pm
magnetic moment

Last post by admin « Mon Jun 23, 2008 2:37 pm
Replies: 6
by Gilles » Mon Sep 19, 2005 8:45 am

6 Replies

23718 Views

Last post by admin
Mon Jun 23, 2008 2:37 pm
zero diffusion barrier using NEB

Last post by Tiger-paw « Fri Jun 20, 2008 9:18 pm
Replies: 3
by Tiger-paw » Fri Jun 20, 2008 2:12 am

3 Replies

2020 Views

Last post by Tiger-paw
Fri Jun 20, 2008 9:18 pm
[size=16]T/F Flags in Constrained Optimization: doubts[/size]

Last post by admin « Thu Jun 19, 2008 3:47 pm
Replies: 4
by gpkmohan » Mon Jun 16, 2008 5:18 pm

4 Replies

3325 Views

Last post by admin
Thu Jun 19, 2008 3:47 pm
lm decomposed charge density

Last post by admin « Thu Jun 19, 2008 2:25 pm
Replies: 1
by yuta » Wed Jun 18, 2008 4:56 pm

1 Replies

1824 Views

Last post by admin
Thu Jun 19, 2008 2:25 pm
Oxygen vacancy formation in pyrochlore oxide -- problems with convergence wrt ENCUT

Last post by cwandtj « Thu Jun 19, 2008 6:44 am
Replies: 3
by nymajoak » Wed Jun 04, 2008 5:37 pm

3 Replies

3422 Views

Last post by cwandtj
Thu Jun 19, 2008 6:44 am
call to ZHEGV failed

Last post by job « Wed Jun 18, 2008 6:07 pm
Replies: 1
by linglin » Sun Jun 15, 2008 2:25 pm

1 Replies

2233 Views

Last post by job
Wed Jun 18, 2008 6:07 pm
LDA + U

Last post by Kitaura « Wed Jun 18, 2008 6:03 pm
Replies: 4
by Kitaura » Tue Jun 17, 2008 11:58 am

4 Replies

4213 Views

Last post by Kitaura
Wed Jun 18, 2008 6:03 pm
convergence problem with large magnetic system with impurities

Last post by admin « Tue Jun 17, 2008 12:04 pm
Replies: 3
by okuno » Mon Jun 16, 2008 3:31 pm

3 Replies

3900 Views

Last post by admin
Tue Jun 17, 2008 12:04 pm
Anyone knows VASP 5 release date?

Last post by admin « Mon Jun 16, 2008 9:53 pm
Replies: 1
by chahn » Mon Jun 16, 2008 2:39 pm

1 Replies

1709 Views

Last post by admin
Mon Jun 16, 2008 9:53 pm
interstitial contribution to DOS

Last post by jan « Fri Jun 13, 2008 8:51 am
Replies: 2
by jan » Sat Jun 07, 2008 4:32 am

2 Replies

2015 Views

Last post by jan
Fri Jun 13, 2008 8:51 am
vibrational mode intensities?

Last post by dkersh02 « Thu Jun 12, 2008 8:40 pm
Replies: 3
by dkersh02 » Thu Jun 12, 2008 3:21 am

3 Replies

2501 Views

Last post by dkersh02
Thu Jun 12, 2008 8:40 pm

New Topic

5317 topics

Page 227 of 266
- Jump to page:
Previous
1
…
225
226
227
228
229
…
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