Using VASP

Moderators: Global Moderator, Moderator

New Topic

5334 topics

Page 217 of 267
- Jump to page:
Previous
1
…
215
216
217
218
219
…
267
Next

Topics

Replies

Views

Last post

Germanium Coulomb interaction U

Last post by giacomo giorgi « Tue Jun 02, 2009 2:46 am
Replies: 1
by giacomo giorgi » Tue May 19, 2009 7:36 am

1 Replies

1359 Views

Last post by giacomo giorgi
Tue Jun 02, 2009 2:46 am
Band Structure with ISPIN=2

Last post by twendler « Thu May 28, 2009 5:01 pm
Replies: 2
by twendler » Wed May 27, 2009 3:25 pm

2 Replies

3126 Views

Last post by twendler
Thu May 28, 2009 5:01 pm
NEB Problem (is my system too large?)

Last post by panda « Tue May 26, 2009 7:01 pm
Replies: 3
by tak » Thu May 21, 2009 6:50 pm

3 Replies

2250 Views

Last post by panda
Tue May 26, 2009 7:01 pm
Cohesion energy calculation

Last post by antoineM « Sun May 24, 2009 10:24 am
Replies: 2
by antoineM » Mon May 18, 2009 2:39 pm

2 Replies

2454 Views

Last post by antoineM
Sun May 24, 2009 10:24 am
can i do cell relaxation with different c/a ratios in VASP?

Last post by crivello « Sat May 23, 2009 5:29 pm
Replies: 2
by linglin » Wed May 20, 2009 1:44 pm

2 Replies

1783 Views

Last post by crivello
Sat May 23, 2009 5:29 pm
some problem about forces on ions in OUTCAR

Last post by tlchan « Thu May 21, 2009 3:43 pm
Replies: 2
by rukai » Wed May 20, 2009 9:04 am

2 Replies

3752 Views

Last post by tlchan
Thu May 21, 2009 3:43 pm
after the NEB calculation, how to determine the value of reaction coordinate?

Last post by tracy « Thu May 21, 2009 2:20 am
Replies: 1
by tracy » Mon May 11, 2009 10:05 pm

1 Replies

1870 Views

Last post by tracy
Thu May 21, 2009 2:20 am
how to relax cell under specific pressure

Last post by linglin « Wed May 20, 2009 1:02 pm
Replies: 5
by linglin » Wed May 20, 2009 9:00 am

5 Replies

4001 Views

Last post by linglin
Wed May 20, 2009 1:02 pm
How to choose smearing method

Last post by yuxiao_zihan « Tue May 19, 2009 10:12 am
Replies: 1
by yuxiao_zihan » Wed Apr 22, 2009 8:21 pm

1 Replies

2699 Views

Last post by yuxiao_zihan
Tue May 19, 2009 10:12 am
Electron occupation above Fermi level

Last post by giacomo giorgi « Mon May 18, 2009 2:43 am
Replies: 1
by mhyman » Fri May 15, 2009 2:38 pm

1 Replies

1818 Views

Last post by giacomo giorgi
Mon May 18, 2009 2:43 am
how to calulate dos of molecular

Last post by panda « Sun May 17, 2009 7:04 pm
Replies: 4
by crazylili » Tue Apr 28, 2009 2:32 am

4 Replies

2015 Views

Last post by panda
Sun May 17, 2009 7:04 pm
optimization of the surface-dye complex

Last post by Danny « Tue May 12, 2009 1:23 am
Replies: 2
by imsam100 » Thu Apr 23, 2009 9:49 am

2 Replies

1808 Views

Last post by Danny
Tue May 12, 2009 1:23 am
convergence problem with single atoms in a cell

Last post by Danny « Tue May 12, 2009 12:56 am
Replies: 5
by Danny » Thu Apr 30, 2009 8:29 pm

5 Replies

2176 Views

Last post by Danny
Tue May 12, 2009 12:56 am
How to calculate the occupation number of the electrons?

Last post by jlrch « Sat May 09, 2009 1:44 am
Replies: 2
by joannase » Thu Apr 23, 2009 1:29 pm

2 Replies

3262 Views

Last post by jlrch
Sat May 09, 2009 1:44 am
SURFACE OXIDE CALCULATIONS - IDIPOL ?

Last post by panda « Sun May 03, 2009 12:14 am
Replies: 1
by jelenajelic » Fri Apr 17, 2009 7:58 am

1 Replies

1731 Views

Last post by panda
Sun May 03, 2009 12:14 am
How do I confirm that the Molecular dynamics run right or wrong?

Last post by panda « Fri May 01, 2009 7:13 pm
Replies: 2
by utpalsarkar » Tue Apr 28, 2009 7:50 am

2 Replies

1800 Views

Last post by panda
Fri May 01, 2009 7:13 pm
what is the appropriate convergence criterium for CI-NEB calculations?

Last post by tracy « Fri May 01, 2009 3:28 pm
Replies: 5
by tracy » Mon Apr 20, 2009 10:34 pm

5 Replies

5599 Views

Last post by tracy
Fri May 01, 2009 3:28 pm
how to calculate thermodynamics properties of mixture using vasp simulation results

Last post by lqzhang « Tue Apr 28, 2009 3:24 pm
Replies: 1
by lqzhang » Sat Apr 11, 2009 9:06 pm

1 Replies

1754 Views

Last post by lqzhang
Tue Apr 28, 2009 3:24 pm
Problem with the bands calculation

Last post by PSorokin « Mon Apr 27, 2009 9:55 am
Replies: 1
by PSorokin » Fri Apr 24, 2009 9:44 am

1 Replies

2044 Views

Last post by PSorokin
Mon Apr 27, 2009 9:55 am
Orbital symmetry in band structure

Last post by hra « Fri Apr 24, 2009 5:02 am
Replies: 2
by physicalattraction » Wed Apr 15, 2009 7:00 am

2 Replies

1908 Views

Last post by hra
Fri Apr 24, 2009 5:02 am

New Topic

5334 topics

Page 217 of 267
- Jump to page:
Previous
1
…
215
216
217
218
219
…
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