Using VASP

Moderators: Global Moderator, Moderator

New Topic

5887 topics

Page 218 of 295
- Jump to page:
Previous
1
…
216
217
218
219
220
…
295
Next

Topics

Replies

Views

Last post

WARING:Sub-Space-Matrix is not hermitian

Last post by dhfphysics « Tue Apr 19, 2011 7:07 pm
Replies: 1
by dyc_2008 » Tue Apr 05, 2011 10:46 am

1 Replies

3511 Views

Last post by dhfphysics
Tue Apr 19, 2011 7:07 pm
How to know about vibrational modes

Last post by kambiz « Tue Apr 19, 2011 1:20 am
Replies: 3
by kambiz » Fri Apr 15, 2011 1:42 am

3 Replies

4232 Views

Last post by kambiz
Tue Apr 19, 2011 1:20 am
Error in calculation

Last post by kambiz « Fri Apr 15, 2011 1:28 am
Replies: 1
by xskong » Thu Apr 14, 2011 5:37 am

1 Replies

7051 Views

Last post by kambiz
Fri Apr 15, 2011 1:28 am
Convergence problem in NEB calculation

Last post by kambiz « Fri Apr 15, 2011 1:25 am
Replies: 4
by chengz » Wed Apr 13, 2011 7:21 pm

4 Replies

5653 Views

Last post by kambiz
Fri Apr 15, 2011 1:25 am
how to estimate the pressure deviation from LDA overbinding

Last post by lqzhang « Wed Apr 13, 2011 9:46 pm
Replies: 1
by lqzhang » Fri Apr 08, 2011 1:31 am

1 Replies

2930 Views

Last post by lqzhang
Wed Apr 13, 2011 9:46 pm
Biaxial Strain

Last post by metosa « Tue Apr 12, 2011 1:23 pm
Replies: 1
by lexa » Mon Apr 11, 2011 4:06 pm

1 Replies

3249 Views

Last post by metosa
Tue Apr 12, 2011 1:23 pm
HSE06 calculation and band gap of Si

Last post by CStar « Fri Apr 08, 2011 8:48 pm
Replies: 2
by CStar » Fri Apr 08, 2011 12:22 am

2 Replies

8887 Views

Last post by CStar
Fri Apr 08, 2011 8:48 pm
Spurious Electron in the Conduction Band

Last post by sankh « Thu Apr 07, 2011 6:05 am
Replies: 1
by sankh » Wed Apr 06, 2011 8:08 pm

1 Replies

4917 Views

Last post by sankh
Thu Apr 07, 2011 6:05 am
charge on metal ion

Last post by musharaf « Wed Apr 06, 2011 6:02 am
Replies: 2
by musharaf » Tue Mar 29, 2011 8:59 am

2 Replies

5649 Views

Last post by musharaf
Wed Apr 06, 2011 6:02 am
error when using hybrid functionals

Last post by torsb « Tue Apr 05, 2011 3:10 pm
Replies: 2
by Burns » Tue Oct 26, 2010 5:18 am

2 Replies

4587 Views

Last post by torsb
Tue Apr 05, 2011 3:10 pm
Calculation of migration energy using NEB method...

Last post by chenling « Mon Apr 04, 2011 7:08 pm
Replies: 5
by prithwish » Thu Jul 26, 2007 12:21 pm

5 Replies

8574 Views

Last post by chenling
Mon Apr 04, 2011 7:08 pm
The optimized structure of graphene unit cell

Last post by PhyChemKang « Fri Apr 01, 2011 12:08 pm
Replies: 5
by PhyChemKang » Fri Apr 01, 2011 5:21 am

5 Replies

5989 Views

Last post by PhyChemKang
Fri Apr 01, 2011 12:08 pm
Tungsten paw pseudopotentials - positive total energy

Last post by dfcox « Fri Apr 01, 2011 10:28 am
Replies: 1
by dfcox » Thu Mar 24, 2011 12:55 pm

1 Replies

3531 Views

Last post by dfcox
Fri Apr 01, 2011 10:28 am
How to calculate Chemical Shifts

Last post by alex « Fri Apr 01, 2011 6:42 am
Replies: 1
by JohnnyTsien » Thu Mar 31, 2011 7:55 pm

1 Replies

2907 Views

Last post by alex
Fri Apr 01, 2011 6:42 am
How to determine Curie temperature?

Last post by magal « Thu Mar 31, 2011 7:42 am
Replies: 2
by magal » Tue Mar 22, 2011 8:33 am

2 Replies

4484 Views

Last post by magal
Thu Mar 31, 2011 7:42 am
Phonon calculation

Last post by leostorm10 « Wed Mar 30, 2011 5:42 am
Replies: 2
by leostorm10 » Mon Mar 28, 2011 4:30 am

2 Replies

4940 Views

Last post by leostorm10
Wed Mar 30, 2011 5:42 am
Visualize vibrational eigenvectors.

Last post by pkroll « Wed Mar 30, 2011 3:42 am
Replies: 3
by Sharani » Tue Mar 01, 2011 8:32 pm

3 Replies

5080 Views

Last post by pkroll
Wed Mar 30, 2011 3:42 am
Temperature in MD simulation

Last post by pkroll « Wed Mar 30, 2011 3:41 am
Replies: 1
by kmkumar » Tue Mar 22, 2011 1:55 pm

1 Replies

3916 Views

Last post by pkroll
Wed Mar 30, 2011 3:41 am
static calculations

Last post by alex « Tue Mar 29, 2011 7:02 am
Replies: 1
by lqzhang » Sat Mar 26, 2011 3:16 pm

1 Replies

3038 Views

Last post by alex
Tue Mar 29, 2011 7:02 am
Pseudopotential with self-interaction correction

Last post by tholme « Mon Mar 28, 2011 9:49 pm
Replies: 5
by sushil448 » Mon Jul 31, 2006 6:38 am

5 Replies

6729 Views

Last post by tholme
Mon Mar 28, 2011 9:49 pm

New Topic

5887 topics

Page 218 of 295
- Jump to page:
Previous
1
…
216
217
218
219
220
…
295
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