Using VASP

Moderators: Global Moderator, Moderator

New Topic

5551 topics

Page 198 of 278
- Jump to page:
Previous
1
…
196
197
198
199
200
…
278
Next

Topics

Replies

Views

Last post

Wavefunction coefficient (Cn(k+G)) and reciprocal lattice vectors (G)

Last post by sswt « Tue Jul 05, 2011 3:57 am
Replies: 1
by sswt » Wed Jun 29, 2011 4:50 am

1 Replies

2851 Views

Last post by sswt
Tue Jul 05, 2011 3:57 am
DOS of magnetic materials

Last post by mbtvasp « Mon Jul 04, 2011 8:56 pm
Replies: 2
by xffan » Tue Mar 27, 2007 8:43 am

2 Replies

3432 Views

Last post by mbtvasp
Mon Jul 04, 2011 8:56 pm
HSE06 bandstructure - what about ICHARG?

Last post by superyoyo « Mon Jul 04, 2011 8:35 am
Replies: 2
by giacomo giorgi » Tue Jun 28, 2011 6:30 am

2 Replies

19075 Views

Last post by superyoyo
Mon Jul 04, 2011 8:35 am
B3LYP functional error

Last post by animusfracto « Wed Jun 29, 2011 5:13 pm
Replies: 1
by kambiz » Mon Jun 20, 2011 7:50 am

1 Replies

2289 Views

Last post by animusfracto
Wed Jun 29, 2011 5:13 pm
sigma

Last post by apple « Mon Jun 27, 2011 11:33 pm
Replies: 2
by apple » Wed Jun 15, 2011 7:28 am

2 Replies

3793 Views

Last post by apple
Mon Jun 27, 2011 11:33 pm
Binding energy (convergence)

Last post by apple « Mon Jun 27, 2011 11:31 pm
Replies: 2
by apple » Fri Jun 24, 2011 8:21 pm

2 Replies

2435 Views

Last post by apple
Mon Jun 27, 2011 11:31 pm
Physics of LOCPOT

Last post by juhL « Mon Jun 27, 2011 4:20 pm
Replies: 9
by protonic » Mon Jan 31, 2011 10:28 am

9 Replies

15507 Views

Last post by juhL
Mon Jun 27, 2011 4:20 pm
relaxation calculations with NELECT set

Last post by tlchan « Sat Jun 25, 2011 5:44 pm
Replies: 1
by hanhan » Wed Jun 15, 2011 1:03 pm

1 Replies

2610 Views

Last post by tlchan
Sat Jun 25, 2011 5:44 pm
HSE optimization

Last post by zhantian « Wed Jun 22, 2011 9:30 pm
Replies: 2
by zhantian » Tue Jun 21, 2011 7:18 pm

2 Replies

3076 Views

Last post by zhantian
Wed Jun 22, 2011 9:30 pm
Convergence Problems with EuOPt Supercell

Last post by Danny « Wed Jun 22, 2011 3:44 pm
Replies: 1
by captainalright » Fri Jun 17, 2011 7:57 pm

1 Replies

2347 Views

Last post by Danny
Wed Jun 22, 2011 3:44 pm
Failure in GW0 calculations

Last post by dpj « Sun Jun 19, 2011 6:52 pm
Replies: 1
by giacomo giorgi » Thu Oct 15, 2009 2:59 am

1 Replies

2837 Views

Last post by dpj
Sun Jun 19, 2011 6:52 pm
B3LYP functional

Last post by kambiz « Sat Jun 18, 2011 1:39 pm
Replies: 3
by kambiz » Fri Jun 17, 2011 9:04 am

3 Replies

3345 Views

Last post by kambiz
Sat Jun 18, 2011 1:39 pm
PARCHG - band decomposed charge density (spin dependent)

Last post by bernstei « Thu Jun 16, 2011 5:37 pm
Replies: 4
by denis » Wed Aug 17, 2005 8:36 pm

4 Replies

9641 Views

Last post by bernstei
Thu Jun 16, 2011 5:37 pm
PBE Sm + LAPACK: Routine ZPOTRF failed! 52

Last post by Danny « Thu Jun 16, 2011 1:14 pm
Replies: 2
by Danny » Mon Jun 06, 2011 12:01 am

2 Replies

3161 Views

Last post by Danny
Thu Jun 16, 2011 1:14 pm
About the potential

Last post by ider « Tue Jun 14, 2011 6:33 pm
Replies: 2
by MDrizzle » Wed Nov 02, 2005 7:44 am

2 Replies

3290 Views

Last post by ider
Tue Jun 14, 2011 6:33 pm
How to creat my own psudopotential file?

Last post by ider « Tue Jun 14, 2011 6:31 pm
Replies: 2
by KurtG » Tue Apr 13, 2010 2:20 am

2 Replies

2907 Views

Last post by ider
Tue Jun 14, 2011 6:31 pm
HSE DOS convergence problem

Last post by kirby « Tue Jun 14, 2011 7:16 am
Replies: 5
by apple » Thu Oct 07, 2010 5:00 pm

5 Replies

7269 Views

Last post by kirby
Tue Jun 14, 2011 7:16 am
Linear Response Stops After 1st Degree of Freedom

Last post by yogurt « Mon Jun 13, 2011 6:59 pm
Replies: 2
by arunima » Mon Nov 15, 2010 5:43 pm

2 Replies

3613 Views

Last post by yogurt
Mon Jun 13, 2011 6:59 pm
core level shift

Last post by rashmi « Mon Jun 13, 2011 3:42 pm
Replies: 2
by rashmi » Wed Jun 08, 2011 4:59 pm

2 Replies

2929 Views

Last post by rashmi
Mon Jun 13, 2011 3:42 pm
Energy calculation instability for hcp Co(0001) surface

Last post by tak « Thu Jun 09, 2011 6:14 pm
Replies: 2
by tak » Fri Jun 03, 2011 12:25 am

2 Replies

2951 Views

Last post by tak
Thu Jun 09, 2011 6:14 pm

New Topic

5551 topics

Page 198 of 278
- Jump to page:
Previous
1
…
196
197
198
199
200
…
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