Using VASP

Moderators: Global Moderator, Moderator

New Topic

5594 topics

Page 159 of 280
- Jump to page:
Previous
1
…
157
158
159
160
161
…
280
Next

Topics

Replies

Views

Last post

Velocities output by every MD step

Last post by admin « Fri Jan 09, 2015 12:09 pm
Replies: 1
by bandri » Sat Dec 27, 2014 9:58 am

1 Replies

2441 Views

Last post by admin
Fri Jan 09, 2015 12:09 pm
The band structure of WS2 monolayer

Last post by SoonHo « Fri Dec 19, 2014 4:02 pm
Replies: 2
by SoonHo » Fri Dec 19, 2014 4:09 am

2 Replies

2998 Views

Last post by SoonHo
Fri Dec 19, 2014 4:02 pm
What is the convergence criteria for ISIF=7

Last post by admin « Thu Dec 18, 2014 2:11 pm
Replies: 1
by zhu » Sun Nov 02, 2014 3:20 pm

1 Replies

2747 Views

Last post by admin
Thu Dec 18, 2014 2:11 pm
surface energycalculation

Last post by Neutrino « Wed Dec 17, 2014 5:26 pm
Replies: 1
by ccccc » Wed Dec 17, 2014 2:34 pm

1 Replies

2313 Views

Last post by Neutrino
Wed Dec 17, 2014 5:26 pm
question about DOS in noncollinear calculations

Last post by Neutrino « Wed Dec 17, 2014 4:17 am
Replies: 2
by Neutrino » Fri Sep 05, 2014 10:00 pm

2 Replies

2691 Views

Last post by Neutrino
Wed Dec 17, 2014 4:17 am
Energy of a gas molecule like H2

Last post by admin « Tue Dec 16, 2014 10:31 am
Replies: 1
by amardeeppathak » Mon Dec 15, 2014 9:16 pm

1 Replies

3863 Views

Last post by admin
Tue Dec 16, 2014 10:31 am
Divergence of nonself-consistent HSE06 calculations

Last post by zzhlax « Fri Dec 05, 2014 11:03 am
Replies: 4
by zzhlax » Wed Dec 03, 2014 1:08 pm

4 Replies

4327 Views

Last post by zzhlax
Fri Dec 05, 2014 11:03 am
VCAIMAGES

Last post by admin « Thu Dec 04, 2014 3:41 pm

by admin » Thu Dec 04, 2014 3:41 pm

0 Replies

2491 Views

Last post by admin
Thu Dec 04, 2014 3:41 pm
GGA+U + vdw

Last post by admin « Tue Dec 02, 2014 3:43 pm
Replies: 1
by Eduard » Thu Nov 27, 2014 3:23 pm

1 Replies

2415 Views

Last post by admin
Tue Dec 02, 2014 3:43 pm
Linear response calculation of U?

Last post by xamnidar « Tue Dec 02, 2014 1:02 am
Replies: 5
by xamnidar » Wed Nov 19, 2014 11:21 pm

5 Replies

22362 Views

Last post by xamnidar
Tue Dec 02, 2014 1:02 am
Initial magnetic moment

Last post by Leny « Thu Nov 27, 2014 6:18 pm
Replies: 4
by Leny » Wed Nov 26, 2014 1:32 am

4 Replies

7090 Views

Last post by Leny
Thu Nov 27, 2014 6:18 pm
How to get the energy of individual atoms in MD simulations

Last post by admin « Thu Nov 27, 2014 12:32 pm
Replies: 3
by fanghz » Tue Nov 25, 2014 11:08 pm

3 Replies

3224 Views

Last post by admin
Thu Nov 27, 2014 12:32 pm
Help please: constrained MD does not work

Last post by admin « Wed Nov 26, 2014 2:06 pm
Replies: 7
by 5-903 » Fri Nov 14, 2014 3:44 pm

7 Replies

7206 Views

Last post by admin
Wed Nov 26, 2014 2:06 pm
calculating elastic constants

Last post by maartendft « Wed Nov 26, 2014 6:10 am
Replies: 2
by verners » Fri Aug 08, 2014 6:03 am

2 Replies

4521 Views

Last post by maartendft
Wed Nov 26, 2014 6:10 am
Suggestions on elastic constants and structural instability

Last post by maartendft « Tue Nov 25, 2014 12:17 am
Replies: 1
by SGhosh » Fri Oct 24, 2014 9:30 am

1 Replies

2850 Views

Last post by maartendft
Tue Nov 25, 2014 12:17 am
increasing the accuracy of LOCPOT

Last post by nwan « Wed Nov 12, 2014 1:02 pm
Replies: 1
by user224 » Fri Oct 31, 2014 5:14 pm

1 Replies

2454 Views

Last post by nwan
Wed Nov 12, 2014 1:02 pm
Bulk Surface relaxation doesn't proceed

Last post by sislam « Mon Nov 10, 2014 1:10 am
Replies: 2
by sislam » Thu Nov 06, 2014 5:12 am

2 Replies

3086 Views

Last post by sislam
Mon Nov 10, 2014 1:10 am
electric SCF congergence problem on slab model

Last post by Yue-Wen Fang « Mon Nov 03, 2014 9:24 am
Replies: 3
by okuno » Tue Oct 21, 2014 10:23 am

3 Replies

3455 Views

Last post by Yue-Wen Fang
Mon Nov 03, 2014 9:24 am
CdSe surface calculations

Last post by zzhlax « Thu Oct 30, 2014 12:48 pm
Replies: 1
by glab » Wed Oct 29, 2014 11:49 pm

1 Replies

2640 Views

Last post by zzhlax
Thu Oct 30, 2014 12:48 pm
Van der Waals matrix elements

Last post by anton « Wed Oct 29, 2014 1:05 pm
Replies: 1
by anton » Wed Sep 17, 2014 5:36 pm

1 Replies

2170 Views

Last post by anton
Wed Oct 29, 2014 1:05 pm

New Topic

5594 topics

Page 159 of 280
- Jump to page:
Previous
1
…
157
158
159
160
161
…
280
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