Using VASP

Moderators: Global Moderator, Moderator

New Topic

5590 topics

Page 220 of 280
- Jump to page:
Previous
1
…
218
219
220
221
222
…
280
Next

Topics

Replies

Views

Last post

Courses or workshops offered? If not, potential resource exchange...

Last post by admin « Fri Mar 12, 2010 10:00 am
Replies: 1
by kristen » Tue Mar 09, 2010 4:35 am

1 Replies

3016 Views

Last post by admin
Fri Mar 12, 2010 10:00 am
Energy minima vs Pressure minima

Last post by admin « Fri Mar 12, 2010 9:49 am
Replies: 3
by rpf » Thu Mar 11, 2010 9:19 am

3 Replies

3568 Views

Last post by admin
Fri Mar 12, 2010 9:49 am
the heating rate in molecular dynamics

Last post by admin « Thu Mar 11, 2010 4:21 pm
Replies: 1
by fegg7502 » Thu Mar 11, 2010 9:46 am

1 Replies

2911 Views

Last post by admin
Thu Mar 11, 2010 4:21 pm
Fixing magnetic moment on each atom in a noncollinear magnetic calculation

Last post by forsdan « Wed Mar 10, 2010 6:35 pm
Replies: 1
by prithwish » Tue Mar 09, 2010 12:32 pm

1 Replies

4581 Views

Last post by forsdan
Wed Mar 10, 2010 6:35 pm
question on the method for smoothed DOS data

Last post by Danny « Mon Mar 08, 2010 11:14 am
Replies: 2
by luke419 » Tue Feb 16, 2010 8:05 am

2 Replies

5156 Views

Last post by Danny
Mon Mar 08, 2010 11:14 am
questions on DOS for semiconductor or insulator

Last post by admin « Fri Mar 05, 2010 8:47 pm
Replies: 1
by luke419 » Mon Feb 22, 2010 2:03 am

1 Replies

3210 Views

Last post by admin
Fri Mar 05, 2010 8:47 pm
When I use the hybrid HSE or PBE0, Should I must use the PBE pseudopotentials?

Last post by admin « Fri Mar 05, 2010 8:38 pm
Replies: 1
by huangdan » Thu Feb 25, 2010 3:17 am

1 Replies

3649 Views

Last post by admin
Fri Mar 05, 2010 8:38 pm
lattice constant problem

Last post by admin « Fri Mar 05, 2010 8:29 pm
Replies: 6
by hehui » Tue Apr 18, 2006 7:05 am

6 Replies

7873 Views

Last post by admin
Fri Mar 05, 2010 8:29 pm
where is the module 'prec'

Last post by admin « Fri Mar 05, 2010 8:25 pm
Replies: 2
by zhuanghl » Sat Feb 27, 2010 6:35 pm

2 Replies

3634 Views

Last post by admin
Fri Mar 05, 2010 8:25 pm
How can I do my HSE-hybrid calculation?

Last post by admin « Fri Mar 05, 2010 8:24 pm
Replies: 1
by huangdan » Wed Mar 03, 2010 7:35 pm

1 Replies

3639 Views

Last post by admin
Fri Mar 05, 2010 8:24 pm
HF convergence problem

Last post by wcwang « Fri Mar 05, 2010 4:43 pm
Replies: 5
by wcwang » Sun Feb 28, 2010 7:37 pm

5 Replies

5553 Views

Last post by wcwang
Fri Mar 05, 2010 4:43 pm
ZnO polar surfaces

Last post by giacomo giorgi « Fri Mar 05, 2010 1:27 am
Replies: 3
by giacomo giorgi » Fri Feb 26, 2010 10:18 am

3 Replies

4852 Views

Last post by giacomo giorgi
Fri Mar 05, 2010 1:27 am
Non-collinear magnetism Problem

Last post by admin « Thu Mar 04, 2010 4:58 pm
Replies: 2
by valsa_mc » Tue Mar 02, 2010 10:49 am

2 Replies

5470 Views

Last post by admin
Thu Mar 04, 2010 4:58 pm
Caculation of DOS and band structure need ionic relaxation?

Last post by admin « Thu Mar 04, 2010 4:48 pm
Replies: 4
by opvu » Fri May 12, 2006 2:33 am

4 Replies

6075 Views

Last post by admin
Thu Mar 04, 2010 4:48 pm
compare DOS of different runs

Last post by kristen « Tue Mar 02, 2010 5:47 am
Replies: 5
by phil » Tue Aug 22, 2006 11:33 am

5 Replies

5633 Views

Last post by kristen
Tue Mar 02, 2010 5:47 am
Error on read CHGCAR

Last post by alexandre « Fri Feb 26, 2010 7:06 pm
Replies: 6
by alexandre » Wed Feb 24, 2010 1:40 pm

6 Replies

9931 Views

Last post by alexandre
Fri Feb 26, 2010 7:06 pm
NEB calculation

Last post by ccccc « Thu Feb 25, 2010 3:35 pm
Replies: 4
by ccccc » Thu Feb 25, 2010 9:10 am

4 Replies

4401 Views

Last post by ccccc
Thu Feb 25, 2010 3:35 pm
How to take macroscopic-averaged electrostatic potential?

Last post by alex « Thu Feb 25, 2010 8:01 am
Replies: 1
by bruent » Thu Feb 25, 2010 5:48 am

1 Replies

4240 Views

Last post by alex
Thu Feb 25, 2010 8:01 am
vtotav.f tool

Last post by bruent « Thu Feb 25, 2010 5:42 am
Replies: 1
by monoj » Fri Feb 12, 2010 12:02 pm

1 Replies

5586 Views

Last post by bruent
Thu Feb 25, 2010 5:42 am
Calculation at Gamma Point (Hexagonal Cell)

Last post by tyson « Tue Feb 23, 2010 9:59 pm
Replies: 2
by tyson » Mon Feb 22, 2010 10:48 pm

2 Replies

12579 Views

Last post by tyson
Tue Feb 23, 2010 9:59 pm

New Topic

5590 topics

Page 220 of 280
- Jump to page:
Previous
1
…
218
219
220
221
222
…
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