Using VASP

Moderators: Global Moderator, Moderator

New Topic

5418 topics

Page 174 of 271
- Jump to page:
Previous
1
…
172
173
174
175
176
…
271
Next

Topics

Replies

Views

Last post

Van der waal interaction calculation

Last post by kelum « Wed Sep 12, 2012 4:29 pm
Replies: 3
by naresh124 » Tue Sep 11, 2012 9:50 am

3 Replies

3895 Views

Last post by kelum
Wed Sep 12, 2012 4:29 pm
Geometric optimization and Temperature

Last post by saran6187 « Tue Sep 11, 2012 8:48 pm
Replies: 2
by saran6187 » Mon Sep 10, 2012 4:46 pm

2 Replies

1774 Views

Last post by saran6187
Tue Sep 11, 2012 8:48 pm
Question on the surpercell size

Last post by vistawanted « Tue Sep 11, 2012 8:27 am
Replies: 2
by xskong » Wed Sep 05, 2012 10:48 am

2 Replies

1323 Views

Last post by vistawanted
Tue Sep 11, 2012 8:27 am
vdW-DF functional

Last post by silviautpl « Wed Sep 05, 2012 11:37 am
Replies: 2
by silviautpl » Sun Sep 02, 2012 5:57 pm

2 Replies

1919 Views

Last post by silviautpl
Wed Sep 05, 2012 11:37 am
Useing vasp4.6 and 5.2 results in different energies

Last post by boris « Wed Sep 05, 2012 11:16 am
Replies: 3
by dyc_2008 » Sun Sep 02, 2012 5:15 am

3 Replies

1536 Views

Last post by boris
Wed Sep 05, 2012 11:16 am
PhD.-thesis G. Kresse

Last post by alex « Tue Sep 04, 2012 9:02 am
Replies: 6
by maartendft » Thu Jun 21, 2012 6:08 am

6 Replies

3173 Views

Last post by alex
Tue Sep 04, 2012 9:02 am
FERWE & FERDO tags

Last post by matusalem « Thu Aug 30, 2012 11:02 pm
Replies: 2
by windiks » Tue Aug 16, 2005 1:01 pm

2 Replies

7474 Views

Last post by matusalem
Thu Aug 30, 2012 11:02 pm
Orbital energies of molecules

Last post by admin « Thu Aug 30, 2012 3:49 pm
Replies: 2
by ...andRobin! » Fri Aug 10, 2012 4:01 am

2 Replies

2095 Views

Last post by admin
Thu Aug 30, 2012 3:49 pm
DFT without atoms

Last post by tlchan « Thu Aug 30, 2012 4:05 am
Replies: 1
by efang » Fri Aug 10, 2012 1:54 am

1 Replies

1041 Views

Last post by tlchan
Thu Aug 30, 2012 4:05 am
Fractional occupancies in the Ni free atom

Last post by kelum « Wed Aug 22, 2012 9:27 am
Replies: 3
by Free Electron » Tue Aug 21, 2012 12:53 pm

3 Replies

2414 Views

Last post by kelum
Wed Aug 22, 2012 9:27 am
How to apply uniaxial stress?

Last post by maartendft « Tue Aug 21, 2012 8:23 pm
Replies: 2
by zrfssh » Thu Aug 02, 2012 6:16 am

2 Replies

4060 Views

Last post by maartendft
Tue Aug 21, 2012 8:23 pm
problems about the uniaxial strain

Last post by icemoonhe « Sun Aug 19, 2012 3:17 am
Replies: 1
by icemoonhe » Sat Aug 18, 2012 10:41 am

1 Replies

2370 Views

Last post by icemoonhe
Sun Aug 19, 2012 3:17 am
the amplitude in temperature fluctuation of MD

Last post by admin « Thu Aug 16, 2012 11:41 am
Replies: 1
by luke419 » Tue Aug 14, 2012 5:05 am

1 Replies

3568 Views

Last post by admin
Thu Aug 16, 2012 11:41 am
reconstruction

Last post by admin « Thu Aug 16, 2012 11:22 am
Replies: 2
by apple » Tue Aug 14, 2012 5:34 pm

2 Replies

1245 Views

Last post by admin
Thu Aug 16, 2012 11:22 am
Problem running NEB calculation

Last post by kambiz « Tue Aug 14, 2012 12:00 pm
Replies: 3
by hadasabir » Sun Aug 12, 2012 9:32 am

3 Replies

2024 Views

Last post by kambiz
Tue Aug 14, 2012 12:00 pm
magnetic moment jumps to near 0 in large ni3al supercell with high accu

Last post by browningcitori « Mon Aug 13, 2012 5:47 pm
Replies: 6
by browningcitori » Wed Jul 18, 2012 4:44 pm

6 Replies

2751 Views

Last post by browningcitori
Mon Aug 13, 2012 5:47 pm
Where can I get HSE06 files?

Last post by alex « Wed Aug 08, 2012 1:12 pm
Replies: 1
by Holotype » Tue Aug 07, 2012 5:19 pm

1 Replies

1192 Views

Last post by alex
Wed Aug 08, 2012 1:12 pm
Some problem about band decomposed charge density with ISPIN=2

Last post by admin « Mon Aug 06, 2012 1:11 pm
Replies: 2
by chorawut » Tue Oct 09, 2007 5:37 pm

2 Replies

1489 Views

Last post by admin
Mon Aug 06, 2012 1:11 pm
Error in simple bulk calculation

Last post by pavel « Fri Aug 03, 2012 12:15 pm
Replies: 1
by agupta16 » Wed Aug 01, 2012 4:39 am

1 Replies

1519 Views

Last post by pavel
Fri Aug 03, 2012 12:15 pm
Accuracy of total energies of atoms and molecules

Last post by jber « Wed Aug 01, 2012 2:54 pm
Replies: 1
by icall » Tue Jul 24, 2012 1:56 am

1 Replies

1013 Views

Last post by jber
Wed Aug 01, 2012 2:54 pm

New Topic

5418 topics

Page 174 of 271
- Jump to page:
Previous
1
…
172
173
174
175
176
…
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