Using VASP

Moderators: Global Moderator, Moderator

New Topic

5538 topics

Page 245 of 277
- Jump to page:
Previous
1
…
243
244
245
246
247
…
277
Next

Topics

Replies

Views

Last post

DOSCAR - order of d orbitals

Last post by admin « Thu Dec 13, 2007 7:27 am
Replies: 3
by jelenajelic » Tue Oct 23, 2007 5:58 pm

3 Replies

11445 Views

Last post by admin
Thu Dec 13, 2007 7:27 am
How can I get the infromation of HOMO, LUMO and band gap

Last post by admin « Tue Dec 11, 2007 12:51 pm
Replies: 1
by lvchen » Sat Dec 08, 2007 5:18 am

1 Replies

7080 Views

Last post by admin
Tue Dec 11, 2007 12:51 pm
MD silulation with VASP

Last post by admin « Tue Dec 11, 2007 12:40 pm
Replies: 1
by whzhang » Mon Dec 10, 2007 4:41 pm

1 Replies

3324 Views

Last post by admin
Tue Dec 11, 2007 12:40 pm
set RWIGS

Last post by admin « Wed Dec 05, 2007 12:26 pm
Replies: 1
by lsam » Tue Dec 04, 2007 6:01 pm

1 Replies

3760 Views

Last post by admin
Wed Dec 05, 2007 12:26 pm
how to use the results to calculate thepolarization of PbTiO3

Last post by hbushubiao « Wed Dec 05, 2007 11:38 am
Replies: 2
by hbushubiao » Mon Dec 03, 2007 12:58 pm

2 Replies

3793 Views

Last post by hbushubiao
Wed Dec 05, 2007 11:38 am
SCF error with Lu atom

Last post by mattis « Wed Dec 05, 2007 7:53 am
Replies: 2
by okuno » Tue Nov 14, 2006 2:01 am

2 Replies

4494 Views

Last post by mattis
Wed Dec 05, 2007 7:53 am
Cell Volume 0

Last post by TAT « Mon Dec 03, 2007 5:53 pm
Replies: 2
by TAT » Sun Dec 02, 2007 10:35 pm

2 Replies

5524 Views

Last post by TAT
Mon Dec 03, 2007 5:53 pm
IBZKPT file

Last post by Danny « Mon Dec 03, 2007 5:48 pm
Replies: 1
by jhlee » Mon Dec 03, 2007 5:34 am

1 Replies

2852 Views

Last post by Danny
Mon Dec 03, 2007 5:48 pm
DOS/PDOS for covalent systems

Last post by lcyin « Mon Dec 03, 2007 12:03 pm
Replies: 1
by pen2kin » Tue Nov 20, 2007 5:15 pm

1 Replies

3357 Views

Last post by lcyin
Mon Dec 03, 2007 12:03 pm
band decomposed density of degenerate orbitals

Last post by lcyin « Mon Dec 03, 2007 11:39 am
Replies: 2
by sf » Wed Nov 21, 2007 4:39 pm

2 Replies

4378 Views

Last post by lcyin
Mon Dec 03, 2007 11:39 am
Why is the calculated energy of hexagonal In2Se3 lattice not accurate ?

Last post by lcyin « Mon Dec 03, 2007 11:18 am
Replies: 1
by Jeffreyfox » Thu Nov 22, 2007 10:40 pm

1 Replies

3267 Views

Last post by lcyin
Mon Dec 03, 2007 11:18 am
About Spin-orbital coupling calculation

Last post by mperezjigato « Sat Dec 01, 2007 5:11 pm
Replies: 1
by admin » Tue Nov 23, 2004 1:31 pm

1 Replies

7756 Views

Last post by mperezjigato
Sat Dec 01, 2007 5:11 pm
Problem in optimization

Last post by admin « Fri Nov 30, 2007 9:25 am
Replies: 1
by weizz » Fri Nov 30, 2007 3:12 am

1 Replies

3641 Views

Last post by admin
Fri Nov 30, 2007 9:25 am
symmetry of the ground electronic state

Last post by admin « Tue Nov 27, 2007 2:44 pm
Replies: 1
by zlch5 » Mon Nov 26, 2007 10:48 pm

1 Replies

3609 Views

Last post by admin
Tue Nov 27, 2007 2:44 pm
Charge density in a certain energy range

Last post by admin « Mon Nov 26, 2007 10:38 am
Replies: 1
by jhlee » Sat Nov 24, 2007 11:00 pm

1 Replies

3693 Views

Last post by admin
Mon Nov 26, 2007 10:38 am
The energy difference between seiral and parallel

Last post by admin « Fri Nov 23, 2007 2:19 pm
Replies: 3
by lanjh » Sat Nov 17, 2007 9:47 am

3 Replies

4703 Views

Last post by admin
Fri Nov 23, 2007 2:19 pm
about he negative frequency in bcc lithium.

Last post by admin « Wed Nov 21, 2007 11:27 am
Replies: 1
by tfb » Sun Nov 18, 2007 12:21 pm

1 Replies

4013 Views

Last post by admin
Wed Nov 21, 2007 11:27 am
Nanoparticle-Calculation

Last post by admin « Wed Nov 21, 2007 11:12 am
Replies: 3
by vaspman » Fri Nov 16, 2007 12:31 am

3 Replies

4692 Views

Last post by admin
Wed Nov 21, 2007 11:12 am
Questions about GGA-tag

Last post by admin « Wed Nov 21, 2007 11:07 am
Replies: 4
by tsanghsiu » Fri Nov 09, 2007 6:56 pm

4 Replies

4873 Views

Last post by admin
Wed Nov 21, 2007 11:07 am
E-fermi for band structure

Last post by user « Fri Nov 16, 2007 9:52 pm
Replies: 2
by user » Thu Nov 08, 2007 2:38 am

2 Replies

8263 Views

Last post by user
Fri Nov 16, 2007 9:52 pm

New Topic

5538 topics

Page 245 of 277
- Jump to page:
Previous
1
…
243
244
245
246
247
…
277
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