Using VASP

Moderators: Global Moderator, Moderator

New Topic

5336 topics

Page 190 of 267
- Jump to page:
Previous
1
…
188
189
190
191
192
…
267
Next

Topics

Replies

Views

Last post

CONTCAR

Last post by admin « Wed May 11, 2011 6:00 pm
Replies: 2
by Dr Vitaly V. G. Chaban » Fri Apr 29, 2011 4:46 pm

2 Replies

1639 Views

Last post by admin
Wed May 11, 2011 6:00 pm
Energy CUT OFF chnaged but free energy same

Last post by alex « Thu May 05, 2011 5:59 pm
Replies: 1
by s9811016 » Thu May 05, 2011 11:16 am

1 Replies

1566 Views

Last post by alex
Thu May 05, 2011 5:59 pm
Chemical Potential

Last post by hat343 « Tue May 03, 2011 5:54 am
Replies: 5
by hat343 » Fri Jan 14, 2011 11:16 am

5 Replies

3056 Views

Last post by hat343
Tue May 03, 2011 5:54 am
Calculating COOP (crystal orbital overlap population) within VASP

Last post by ambiguousphoton « Mon May 02, 2011 9:27 pm
Replies: 8
by mukul » Mon Jan 11, 2010 12:38 am

8 Replies

10165 Views

Last post by ambiguousphoton
Mon May 02, 2011 9:27 pm
Using VASP to calculate the density of state for fcc Ge.

Last post by duantianli « Sat Apr 30, 2011 2:34 am
Replies: 2
by duantianli » Fri Apr 29, 2011 3:40 am

2 Replies

3338 Views

Last post by duantianli
Sat Apr 30, 2011 2:34 am
Errors with core level shift calculation in vasp 5.2.2

Last post by victory2401 « Thu Apr 28, 2011 9:06 am
Replies: 2
by victory2401 » Tue Aug 17, 2010 8:32 am

2 Replies

3434 Views

Last post by victory2401
Thu Apr 28, 2011 9:06 am
Convergence of electronic calculation

Last post by sketrat « Thu Apr 28, 2011 2:04 am
Replies: 2
by tssunrise » Tue Apr 26, 2011 12:23 am

2 Replies

3392 Views

Last post by sketrat
Thu Apr 28, 2011 2:04 am
different magnetic moments of first and final states in NEB

Last post by kambiz « Thu Apr 21, 2011 11:41 am
Replies: 2
by kambiz » Thu Apr 21, 2011 12:06 am

2 Replies

1482 Views

Last post by kambiz
Thu Apr 21, 2011 11:41 am
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

1352 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

1674 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

3885 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

2328 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

1252 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

1501 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

5708 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

2951 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

3312 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

2579 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

4565 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

2809 Views

Last post by PhyChemKang
Fri Apr 01, 2011 12:08 pm

New Topic

5336 topics

Page 190 of 267
- Jump to page:
Previous
1
…
188
189
190
191
192
…
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