Using VASP

Moderators: Global Moderator, Moderator

New Topic

5821 topics

Page 241 of 292
- Jump to page:
Previous
1
…
239
240
241
242
243
…
292
Next

Topics

Replies

Views

Last post

How to add an electronic field in vasp calculations

Last post by haiping « Thu Jun 11, 2009 10:16 am
Replies: 2
by haiping » Wed Jun 10, 2009 10:32 am

2 Replies

4120 Views

Last post by haiping
Thu Jun 11, 2009 10:16 am
convergence

Last post by yuxiao_zihan « Wed Jun 10, 2009 12:43 pm
Replies: 1
by shurab » Tue Jun 02, 2009 3:55 pm

1 Replies

4128 Views

Last post by yuxiao_zihan
Wed Jun 10, 2009 12:43 pm
setting LDAUL,LDAUUand LDAUJ terms in INCAR

Last post by giacomo giorgi « Mon Jun 08, 2009 9:36 am
Replies: 1
by prithwish » Sat Jun 06, 2009 10:29 am

1 Replies

5703 Views

Last post by giacomo giorgi
Mon Jun 08, 2009 9:36 am
Is there anybody calculated carbides with VASP? such as

Last post by tracy « Sun Jun 07, 2009 8:36 pm
Replies: 2
by tracy » Fri Jun 05, 2009 10:01 pm

2 Replies

4219 Views

Last post by tracy
Sun Jun 07, 2009 8:36 pm
About phonon calculations,

Last post by cwandtj « Thu Jun 04, 2009 1:10 pm
Replies: 2
by cwandtj » Tue Jun 02, 2009 8:12 pm

2 Replies

4237 Views

Last post by cwandtj
Thu Jun 04, 2009 1:10 pm
how calculate the partial charge of atoms in molecule adsorbed on asurface

Last post by yuxiao_zihan « Wed Jun 03, 2009 2:13 pm
Replies: 1
by rghomari » Tue Jun 02, 2009 11:21 pm

1 Replies

4339 Views

Last post by yuxiao_zihan
Wed Jun 03, 2009 2:13 pm
defect induced quadrupole moment in the presence of a dipole moment

Last post by david6477 « Tue Jun 02, 2009 2:32 pm
Replies: 1
by david6477 » Tue Jun 02, 2009 2:06 pm

1 Replies

4346 Views

Last post by david6477
Tue Jun 02, 2009 2:32 pm
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

3297 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

6604 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

5300 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

5195 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

4269 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

7132 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

4280 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

8100 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

5746 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

3941 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

5498 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

4771 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

6138 Views

Last post by Danny
Tue May 12, 2009 12:56 am

New Topic

5821 topics

Page 241 of 292
- Jump to page:
Previous
1
…
239
240
241
242
243
…
292
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