Using VASP

Moderators: Global Moderator, Moderator

New Topic

5411 topics

Page 202 of 271
- Jump to page:
Previous
1
…
200
201
202
203
204
…
271
Next

Topics

Replies

Views

Last post

total energy calculation

Last post by forsdan « Wed Oct 13, 2010 2:55 pm
Replies: 1
by gevolo » Wed Oct 13, 2010 10:15 am

1 Replies

1369 Views

Last post by forsdan
Wed Oct 13, 2010 2:55 pm
why this nve simulation could not work?

Last post by lqzhang « Tue Oct 12, 2010 2:58 am
Replies: 1
by lqzhang » Mon Oct 11, 2010 2:14 pm

1 Replies

1329 Views

Last post by lqzhang
Tue Oct 12, 2010 2:58 am
what does relaxing mean？

Last post by dyc_2008 « Fri Oct 08, 2010 4:05 am
Replies: 3
by dyc_2008 » Wed Sep 29, 2010 3:28 am

3 Replies

2194 Views

Last post by dyc_2008
Fri Oct 08, 2010 4:05 am
How to set the weight of coordinates in K-file

Last post by dyc_2008 « Fri Oct 08, 2010 3:59 am
Replies: 2
by dyc_2008 » Thu Sep 30, 2010 1:33 am

2 Replies

1215 Views

Last post by dyc_2008
Fri Oct 08, 2010 3:59 am
Non-collinear Calulations

Last post by forsdan « Thu Oct 07, 2010 11:15 am
Replies: 3
by fuzzylogic » Thu Oct 07, 2010 4:37 am

3 Replies

2205 Views

Last post by forsdan
Thu Oct 07, 2010 11:15 am
hOW isVASP surface simulations, calculations

Last post by cangunaltay « Mon Oct 04, 2010 8:33 pm
Replies: 3
by cangunaltay » Sun Oct 03, 2010 10:19 pm

3 Replies

1850 Views

Last post by cangunaltay
Mon Oct 04, 2010 8:33 pm
Graphene Calculation problem

Last post by metosa « Sun Oct 03, 2010 4:16 pm
Replies: 5
by PhyChemKang » Fri Oct 01, 2010 4:39 pm

5 Replies

4659 Views

Last post by metosa
Sun Oct 03, 2010 4:16 pm
Too many bands in the result

Last post by pkroll « Fri Oct 01, 2010 11:29 pm
Replies: 6
by tomic » Tue Aug 17, 2010 9:47 am

6 Replies

4764 Views

Last post by pkroll
Fri Oct 01, 2010 11:29 pm
How can I use the file of constr_cell_relax.F of VASP?

Last post by pkroll « Fri Oct 01, 2010 11:19 pm
Replies: 2
by zdhlover » Tue Sep 21, 2010 3:41 am

2 Replies

2261 Views

Last post by pkroll
Fri Oct 01, 2010 11:19 pm
DFT+U

Last post by apple « Fri Oct 01, 2010 10:25 pm
Replies: 3
by apple » Tue Sep 28, 2010 3:20 am

3 Replies

1922 Views

Last post by apple
Fri Oct 01, 2010 10:25 pm
Simple Question

Last post by PhyChemKang « Wed Sep 29, 2010 2:25 am
Replies: 2
by PhyChemKang » Tue Sep 28, 2010 11:59 am

2 Replies

1364 Views

Last post by PhyChemKang
Wed Sep 29, 2010 2:25 am
a question about POSCAR

Last post by dyc_2008 « Wed Sep 29, 2010 1:26 am
Replies: 2
by dyc_2008 » Tue Sep 28, 2010 12:09 pm

2 Replies

1375 Views

Last post by dyc_2008
Wed Sep 29, 2010 1:26 am
A semple question form a new user

Last post by metosa « Tue Sep 28, 2010 8:43 pm
Replies: 3
by dyc_2008 » Tue Sep 28, 2010 8:29 am

3 Replies

1347 Views

Last post by metosa
Tue Sep 28, 2010 8:43 pm
gamma point only

Last post by dyc_2008 « Mon Sep 27, 2010 2:44 am
Replies: 3
by Charles W. Bauschlicher » Fri Apr 21, 2006 9:53 pm

3 Replies

5821 Views

Last post by dyc_2008
Mon Sep 27, 2010 2:44 am
Compiling VASP in single precision

Last post by admin « Sun Sep 26, 2010 1:36 pm
Replies: 1
by jlrch » Sat Sep 25, 2010 6:31 pm

1 Replies

1550 Views

Last post by admin
Sun Sep 26, 2010 1:36 pm
Can I calculate the charge density value within 1E-7 accuracy?

Last post by VASP001 « Sat Sep 25, 2010 5:45 pm
Replies: 1
by yjpark » Tue Jul 20, 2010 4:43 am

1 Replies

2114 Views

Last post by VASP001
Sat Sep 25, 2010 5:45 pm
POSCAR for decimally compounds

Last post by forsdan « Thu Sep 23, 2010 8:14 am
Replies: 1
by ymogulkoc » Thu Sep 23, 2010 7:12 am

1 Replies

2110 Views

Last post by forsdan
Thu Sep 23, 2010 8:14 am
total energy in scf and nscf

Last post by cenwanglai « Tue Sep 21, 2010 6:53 am
Replies: 5
by wangqj1 » Sat Sep 04, 2010 12:07 pm

5 Replies

2612 Views

Last post by cenwanglai
Tue Sep 21, 2010 6:53 am
KPOINTS

Last post by alex « Mon Sep 20, 2010 7:59 am
Replies: 1
by AB » Wed Sep 15, 2010 12:43 pm

1 Replies

1192 Views

Last post by alex
Mon Sep 20, 2010 7:59 am
Calculation problem for Benzene

Last post by yuxiao_zihan « Sun Sep 19, 2010 1:45 pm
Replies: 1
by PhyChemKang » Sun Sep 19, 2010 8:36 am

1 Replies

2711 Views

Last post by yuxiao_zihan
Sun Sep 19, 2010 1:45 pm

New Topic

5411 topics

Page 202 of 271
- Jump to page:
Previous
1
…
200
201
202
203
204
…
271
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