Using VASP

Moderators: Global Moderator, Moderator

New Topic

5382 topics

Page 230 of 270
- Jump to page:
Previous
1
…
228
229
230
231
232
…
270
Next

Topics

Replies

Views

Last post

lattice parametrs optemization

Last post by forsdan « Sat Jul 12, 2008 11:31 am
Replies: 1
by chemical » Sat Jul 12, 2008 5:56 am

1 Replies

2496 Views

Last post by forsdan
Sat Jul 12, 2008 11:31 am
paramagnetic, ferromagnetic and antiferromagnetic calculation

Last post by olinad « Wed Jul 09, 2008 7:20 pm
Replies: 7
by decai » Tue Aug 07, 2007 7:47 pm

7 Replies

10857 Views

Last post by olinad
Wed Jul 09, 2008 7:20 pm
equilibrium parameter calculation

Last post by admin « Tue Jul 08, 2008 4:18 pm
Replies: 1
by rghomari » Mon Jul 07, 2008 9:40 pm

1 Replies

1492 Views

Last post by admin
Tue Jul 08, 2008 4:18 pm
EFIELD

Last post by admin « Tue Jul 08, 2008 4:16 pm
Replies: 1
by Borninger » Thu Jul 03, 2008 6:09 pm

1 Replies

1890 Views

Last post by admin
Tue Jul 08, 2008 4:16 pm
Relaxation when a small molecule attached to metal surface

Last post by admin « Tue Jul 08, 2008 4:13 pm
Replies: 1
by Burns » Wed Jul 02, 2008 11:52 am

1 Replies

1877 Views

Last post by admin
Tue Jul 08, 2008 4:13 pm
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

4182 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

2274 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

3594 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

4434 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

3927 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

6234 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

2449 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

2104 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

2300 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

24183 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

2163 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

3472 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

1891 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

3557 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

2326 Views

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

New Topic

5382 topics

Page 230 of 270
- Jump to page:
Previous
1
…
228
229
230
231
232
…
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