Using VASP

Moderators: Global Moderator, Moderator

New Topic

5333 topics

Page 248 of 267
- Jump to page:
Previous
1
…
246
247
248
249
250
…
267
Next

Topics

Replies

Views

Last post

Question on relaxing a crystal structure

Last post by admin « Wed Jan 17, 2007 9:26 am
Replies: 9
by TomÃ¡s » Fri Jan 12, 2007 12:04 pm

9 Replies

6529 Views

Last post by admin
Wed Jan 17, 2007 9:26 am
What is the "reduce length"?

Last post by admin « Tue Jan 16, 2007 1:17 pm
Replies: 3
by xfh » Sun Dec 17, 2006 12:48 pm

3 Replies

3152 Views

Last post by admin
Tue Jan 16, 2007 1:17 pm
Curie temperature via molecular dynamics

Last post by admin « Tue Jan 16, 2007 1:13 pm
Replies: 1
by VitOldy » Sat Jan 06, 2007 5:59 am

1 Replies

2883 Views

Last post by admin
Tue Jan 16, 2007 1:13 pm
How to calculate the single point energy?

Last post by tjf « Mon Jan 15, 2007 11:13 am
Replies: 3
by lanjh » Tue Jan 09, 2007 12:31 pm

3 Replies

3974 Views

Last post by tjf
Mon Jan 15, 2007 11:13 am
"Overshooting" of the free energy

Last post by tjf « Wed Jan 10, 2007 4:49 pm
Replies: 3
by salva » Fri Jan 05, 2007 4:04 pm

3 Replies

3315 Views

Last post by tjf
Wed Jan 10, 2007 4:49 pm
fatal internal error at ISIF=3 Structure Optimization

Last post by admin « Wed Jan 10, 2007 3:56 pm
Replies: 1
by okuno » Wed Jan 10, 2007 1:11 am

1 Replies

2582 Views

Last post by admin
Wed Jan 10, 2007 3:56 pm
"wrap arround errors" and relaxation?

Last post by admin « Tue Jan 09, 2007 4:22 pm
Replies: 4
by lahaye » Tue Sep 19, 2006 2:04 am

4 Replies

3711 Views

Last post by admin
Tue Jan 09, 2007 4:22 pm
relaxation question of insulator

Last post by admin « Tue Jan 09, 2007 4:21 pm

by admin » Tue Jan 09, 2007 4:21 pm

0 Replies

2957 Views

Last post by admin
Tue Jan 09, 2007 4:21 pm
caculate work-function of cnt(carbon nanotube) need dipole correction?

Last post by admin « Tue Jan 09, 2007 3:57 pm
Replies: 1
by baoailin » Tue Jan 09, 2007 12:35 pm

1 Replies

3010 Views

Last post by admin
Tue Jan 09, 2007 3:57 pm
How could I get the orbital occupation information?

Last post by admin « Mon Jan 08, 2007 1:32 pm
Replies: 1
by sondon » Sat Jan 06, 2007 12:13 pm

1 Replies

3467 Views

Last post by admin
Mon Jan 08, 2007 1:32 pm
Question on STM image calculation

Last post by admin « Mon Jan 08, 2007 1:12 pm
Replies: 3
by jjhskang » Sat Dec 30, 2006 2:30 am

3 Replies

5312 Views

Last post by admin
Mon Jan 08, 2007 1:12 pm
Output Steps

Last post by admin « Thu Jan 04, 2007 3:47 pm
Replies: 4
by shellingford » Tue Dec 26, 2006 6:44 pm

4 Replies

4272 Views

Last post by admin
Thu Jan 04, 2007 3:47 pm
How to calulcate the bandstructure for nanowires

Last post by tjf « Wed Jan 03, 2007 7:55 am
Replies: 4
by sagar5284 » Mon Aug 14, 2006 4:03 pm

4 Replies

4070 Views

Last post by tjf
Wed Jan 03, 2007 7:55 am
Band level filling has no sharp cut-off at Fermi energy !?

Last post by simly « Thu Dec 28, 2006 1:12 am
Replies: 2
by lahaye » Tue Nov 28, 2006 11:08 am

2 Replies

3179 Views

Last post by simly
Thu Dec 28, 2006 1:12 am
Step function

Last post by tjf « Thu Dec 28, 2006 12:58 am
Replies: 2
by mff7d » Thu Dec 21, 2006 8:39 pm

2 Replies

2914 Views

Last post by tjf
Thu Dec 28, 2006 12:58 am
external electric field

Last post by admin « Wed Dec 27, 2006 2:09 pm
Replies: 1
by gutk » Tue Dec 26, 2006 1:31 am

1 Replies

2766 Views

Last post by admin
Wed Dec 27, 2006 2:09 pm
work function and fermi energy

Last post by admin « Wed Dec 27, 2006 1:59 pm
Replies: 3
by simly » Wed Dec 20, 2006 3:28 am

3 Replies

4707 Views

Last post by admin
Wed Dec 27, 2006 1:59 pm
I don't understand Non-Collinear results

Last post by admin « Wed Dec 27, 2006 1:54 pm
Replies: 1
by lahaye » Fri Dec 22, 2006 10:53 am

1 Replies

3136 Views

Last post by admin
Wed Dec 27, 2006 1:54 pm
Units of magnetic moment on CHG file

Last post by admin « Wed Dec 27, 2006 1:42 pm
Replies: 1
by salva » Tue Dec 26, 2006 6:46 pm

1 Replies

3580 Views

Last post by admin
Wed Dec 27, 2006 1:42 pm
about CHGCAR file for the ISPIN=2 self-consistent static calculation ?

Last post by admin « Wed Dec 27, 2006 1:05 pm
Replies: 1
by vasp-newer » Wed Dec 27, 2006 5:02 am

1 Replies

3807 Views

Last post by admin
Wed Dec 27, 2006 1:05 pm

New Topic

5333 topics

Page 248 of 267
- Jump to page:
Previous
1
…
246
247
248
249
250
…
267
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