Using VASP

Moderators: Global Moderator, Moderator

New Topic

5594 topics

Page 165 of 280
- Jump to page:
Previous
1
…
163
164
165
166
167
…
280
Next

Topics

Replies

Views

Last post

The HSE06 calculations about band structures

Last post by yanzilai « Mon Jan 27, 2014 3:57 am
Replies: 2
by yanzilai » Sun Jan 26, 2014 4:02 pm

2 Replies

3401 Views

Last post by yanzilai
Mon Jan 27, 2014 3:57 am
Abnormally High Ionic Polarization

Last post by mashton « Fri Jan 24, 2014 4:20 pm
Replies: 1
by mashton » Mon Dec 09, 2013 10:49 pm

1 Replies

2477 Views

Last post by mashton
Fri Jan 24, 2014 4:20 pm
how to calculate stabilization due to vdW when using vdW-DF?

Last post by stephan « Tue Jan 21, 2014 11:50 am
Replies: 1
by Ghorbanpour » Tue Jan 21, 2014 7:59 am

1 Replies

2893 Views

Last post by stephan
Tue Jan 21, 2014 11:50 am
about the energy calculated by vdW-DF2

Last post by lukasz.rzeznik « Mon Jan 20, 2014 5:02 pm
Replies: 1
by dwyuan » Wed Jan 08, 2014 8:00 am

1 Replies

2299 Views

Last post by lukasz.rzeznik
Mon Jan 20, 2014 5:02 pm
Constant-pressure MD Trajectory reference point

Last post by Vahid Askarpour « Mon Jan 20, 2014 2:39 pm
Replies: 1
by Vahid Askarpour » Sat Jan 18, 2014 9:59 pm

1 Replies

2285 Views

Last post by Vahid Askarpour
Mon Jan 20, 2014 2:39 pm
Positive Total energy in the calculation

Last post by admin « Mon Jan 20, 2014 11:55 am
Replies: 1
by Jaehyung » Sun Jan 19, 2014 8:46 am

1 Replies

2927 Views

Last post by admin
Mon Jan 20, 2014 11:55 am
NELEC

Last post by admin « Mon Jan 20, 2014 11:29 am
Replies: 1
by hayak » Sun Jan 19, 2014 4:04 pm

1 Replies

2819 Views

Last post by admin
Mon Jan 20, 2014 11:29 am
the effect of thermal expansion on DOS

Last post by elhmo « Thu Jan 16, 2014 4:29 pm
Replies: 2
by elhmo » Thu Jan 16, 2014 1:03 pm

2 Replies

2665 Views

Last post by elhmo
Thu Jan 16, 2014 4:29 pm
Bizarre behavior while using PW91 vasp.5.3

Last post by admin « Thu Jan 16, 2014 4:03 pm
Replies: 1
by Paul_Brown » Tue Jan 14, 2014 7:20 pm

1 Replies

2584 Views

Last post by admin
Thu Jan 16, 2014 4:03 pm
SCF convergence issue of YIG system

Last post by lawlietVASP « Thu Jan 16, 2014 7:43 am
Replies: 1
by ksaha » Thu Jan 31, 2013 8:15 pm

1 Replies

3171 Views

Last post by lawlietVASP
Thu Jan 16, 2014 7:43 am
simulation of surface with a given kspacing

Last post by admin « Wed Jan 15, 2014 12:39 pm
Replies: 1
by shyam » Thu Dec 26, 2013 3:00 pm

1 Replies

2353 Views

Last post by admin
Wed Jan 15, 2014 12:39 pm
Monkhorst - Pack mesh with a k-spacing of 0.12/ Ǻ

Last post by admin « Wed Jan 15, 2014 12:35 pm
Replies: 1
by Vipin » Wed Dec 18, 2013 10:22 am

1 Replies

2338 Views

Last post by admin
Wed Jan 15, 2014 12:35 pm
NEB interpolation

Last post by ccccc « Tue Jan 14, 2014 12:50 pm
Replies: 2
by ccccc » Mon Jan 13, 2014 4:57 pm

2 Replies

3171 Views

Last post by ccccc
Tue Jan 14, 2014 12:50 pm
Fermi surface

Last post by urpach « Tue Jan 14, 2014 11:45 am
Replies: 11
by Kitaura » Tue Sep 23, 2008 7:48 am

11 Replies

15839 Views

Last post by urpach
Tue Jan 14, 2014 11:45 am
What are the units of SMASS?

Last post by xamnidar « Fri Jan 10, 2014 12:58 am
Replies: 1
by xamnidar » Thu Dec 05, 2013 11:50 pm

1 Replies

2561 Views

Last post by xamnidar
Fri Jan 10, 2014 12:58 am
Variational principle

Last post by stephan « Tue Jan 07, 2014 3:06 pm
Replies: 3
by tjf » Thu Jan 18, 2007 12:29 pm

3 Replies

3946 Views

Last post by stephan
Tue Jan 07, 2014 3:06 pm
how to obtain the HEAD of the dielectric tensor

Last post by eariel « Tue Jan 07, 2014 1:10 pm
Replies: 1
by eariel » Fri Dec 20, 2013 8:42 pm

1 Replies

3135 Views

Last post by eariel
Tue Jan 07, 2014 1:10 pm
How to select N1,N2,N3 in k-point file.

Last post by eariel « Tue Jan 07, 2014 11:35 am
Replies: 6
by shyam » Mon Dec 23, 2013 7:41 am

6 Replies

5326 Views

Last post by eariel
Tue Jan 07, 2014 11:35 am
Differentiate between H+ and H

Last post by alex « Tue Jan 07, 2014 10:55 am
Replies: 1
by Fauzee » Tue Jan 07, 2014 7:41 am

1 Replies

2045 Views

Last post by alex
Tue Jan 07, 2014 10:55 am
spin-orbit coupling of Bi2Te3

Last post by mickeyshaughnessy « Tue Jan 07, 2014 12:27 am
Replies: 3
by bioggg » Fri Dec 27, 2013 4:30 pm

3 Replies

4064 Views

Last post by mickeyshaughnessy
Tue Jan 07, 2014 12:27 am

New Topic

5594 topics

Page 165 of 280
- Jump to page:
Previous
1
…
163
164
165
166
167
…
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