Using VASP

Moderators: Global Moderator, Moderator

New Topic

5551 topics

Page 197 of 278
- Jump to page:
Previous
1
…
195
196
197
198
199
…
278
Next

Topics

Replies

Views

Last post

Negative and positive charge density isosurface mix up?

Last post by kzhuo3 « Tue Jul 26, 2011 12:06 pm
Replies: 2
by kzhuo3 » Fri Jul 15, 2011 11:18 am

2 Replies

4210 Views

Last post by kzhuo3
Tue Jul 26, 2011 12:06 pm
How to consider a charge ordering?

Last post by odkhuu « Tue Jul 26, 2011 10:04 am
Replies: 7
by odkhuu » Sun Jul 17, 2011 6:19 am

7 Replies

6138 Views

Last post by odkhuu
Tue Jul 26, 2011 10:04 am
RMSD from VASP output

Last post by s9811016 « Sun Jul 24, 2011 12:02 am
Replies: 1
by Dr Vitaly V. G. Chaban » Mon Jul 18, 2011 11:15 pm

1 Replies

2506 Views

Last post by s9811016
Sun Jul 24, 2011 12:02 am
formation energy of N in ZnO

Last post by superyoyo « Fri Jul 22, 2011 5:57 am
Replies: 2
by mila880227 » Thu Jul 14, 2011 4:29 am

2 Replies

2894 Views

Last post by superyoyo
Fri Jul 22, 2011 5:57 am
Atomization energy of small molecules

Last post by jber « Thu Jul 21, 2011 7:15 pm
Replies: 2
by Joan Adler » Wed Jul 20, 2011 2:28 pm

2 Replies

3894 Views

Last post by jber
Thu Jul 21, 2011 7:15 pm
Problem with Spin polarized DOS calculation

Last post by bikash « Thu Jul 21, 2011 5:28 pm
Replies: 2
by bikash » Wed Jul 20, 2011 7:00 pm

2 Replies

2504 Views

Last post by bikash
Thu Jul 21, 2011 5:28 pm
occupation of one-electron states

Last post by liurong19884000 « Wed Jul 20, 2011 6:56 pm
Replies: 2
by simmi » Sun Jul 10, 2011 7:01 am

2 Replies

2707 Views

Last post by liurong19884000
Wed Jul 20, 2011 6:56 pm
Singlet and Triplet states Calculations

Last post by alex « Tue Jul 19, 2011 10:38 pm
Replies: 18
by Neutrino » Sun Jul 10, 2011 2:44 pm
1

2
18 Replies

17081 Views

Last post by alex
Tue Jul 19, 2011 10:38 pm
optimizing lattice vectors

Last post by tlchan « Tue Jul 19, 2011 6:39 am
Replies: 2
by asaf » Mon Jul 18, 2011 12:00 pm

2 Replies

2861 Views

Last post by tlchan
Tue Jul 19, 2011 6:39 am
Interface between wannier90 and vasp

Last post by tlchan « Tue Jul 19, 2011 6:35 am
Replies: 1
by yyrwater » Sun Jul 17, 2011 7:42 pm

1 Replies

2754 Views

Last post by tlchan
Tue Jul 19, 2011 6:35 am
PBE0 calculation

Last post by alex « Sun Jul 17, 2011 12:03 pm
Replies: 1
by emily.t » Fri Jul 15, 2011 10:22 pm

1 Replies

2166 Views

Last post by alex
Sun Jul 17, 2011 12:03 pm
excess electron

Last post by Danny « Tue Jul 12, 2011 12:30 pm
Replies: 3
by phtobias » Sat Jul 02, 2011 4:03 pm

3 Replies

3284 Views

Last post by Danny
Tue Jul 12, 2011 12:30 pm
need help with HSE and GW band gap calculations

Last post by panda « Mon Jul 11, 2011 6:33 pm
Replies: 2
by panda » Fri Jul 08, 2011 10:47 pm

2 Replies

6604 Views

Last post by panda
Mon Jul 11, 2011 6:33 pm
spin spiral in linear chains

Last post by tanveer « Mon Jul 11, 2011 4:52 pm
Replies: 1
by tanveer » Mon Jul 11, 2011 4:43 pm

1 Replies

3637 Views

Last post by tanveer
Mon Jul 11, 2011 4:52 pm
Error in GW of Aluminum

Last post by Vahid Askarpour « Sun Jul 10, 2011 3:22 pm
Replies: 3
by Vahid Askarpour » Tue Jul 05, 2011 9:08 pm

3 Replies

3241 Views

Last post by Vahid Askarpour
Sun Jul 10, 2011 3:22 pm
convergence problem

Last post by forsdan « Sat Jul 09, 2011 3:34 am
Replies: 1
by asaf » Tue Jul 05, 2011 4:36 pm

1 Replies

2644 Views

Last post by forsdan
Sat Jul 09, 2011 3:34 am
Relaxtion of Specific Ions using VASP

Last post by alex « Fri Jul 08, 2011 11:04 am
Replies: 9
by jlbettis » Wed Jul 06, 2011 5:43 am

9 Replies

5582 Views

Last post by alex
Fri Jul 08, 2011 11:04 am
Non-collinear Density of states calculation

Last post by jlbettis « Thu Jul 07, 2011 7:28 am
Replies: 1
by leostorm10 » Tue Jul 05, 2011 7:48 am

1 Replies

3464 Views

Last post by jlbettis
Thu Jul 07, 2011 7:28 am
band structure calculation for insulators with strong correlation of metals

Last post by boris « Wed Jul 06, 2011 7:40 pm
Replies: 1
by GRYTSYSY » Sat Jun 25, 2011 5:52 pm

1 Replies

2993 Views

Last post by boris
Wed Jul 06, 2011 7:40 pm
About the Fermi energy in VASP

Last post by tlchan « Wed Jul 06, 2011 3:46 pm
Replies: 1
by fzcsydl » Tue Jul 05, 2011 6:25 am

1 Replies

7930 Views

Last post by tlchan
Wed Jul 06, 2011 3:46 pm

New Topic

5551 topics

Page 197 of 278
- Jump to page:
Previous
1
…
195
196
197
198
199
…
278
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