Using VASP

Moderators: Global Moderator, Moderator

New Topic

5839 topics

Page 233 of 292
- Jump to page:
Previous
1
…
231
232
233
234
235
…
292
Next

Topics

Replies

Views

Last post

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

5518 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

6140 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

6769 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

6344 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

11958 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

5079 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

4888 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

5976 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

13688 Views

Last post by tyson
Tue Feb 23, 2010 9:59 pm
Empty DOSCAR & EIGENVAL files for GW0 Calculations?

Last post by Mahlaga « Tue Feb 23, 2010 10:15 am
Replies: 3
by Mahlaga » Mon Feb 22, 2010 1:08 pm

3 Replies

5535 Views

Last post by Mahlaga
Tue Feb 23, 2010 10:15 am
convergence of total energy with respect to cutoff and no of kpoints

Last post by dnumb « Thu Feb 18, 2010 3:56 pm
Replies: 7
by Borninger » Mon Nov 13, 2006 10:03 am

7 Replies

10881 Views

Last post by dnumb
Thu Feb 18, 2010 3:56 pm
How do I calculate accurate DOS?

Last post by boris « Wed Feb 17, 2010 7:14 am
Replies: 4
by sch28181 » Fri Feb 12, 2010 6:39 am

4 Replies

6764 Views

Last post by boris
Wed Feb 17, 2010 7:14 am
question on PDOS analysis

Last post by physicalattraction « Tue Feb 16, 2010 3:41 pm
Replies: 1
by luke419 » Mon Feb 15, 2010 3:29 am

1 Replies

7320 Views

Last post by physicalattraction
Tue Feb 16, 2010 3:41 pm
Determining the Single Particle Energy States for Poiont Defects

Last post by aron « Sun Feb 14, 2010 4:34 pm
Replies: 1
by tommy91779 » Wed Feb 10, 2010 8:42 pm

1 Replies

3586 Views

Last post by aron
Sun Feb 14, 2010 4:34 pm
question on berry phase calculation

Last post by Shahla Chowdhury « Thu Feb 11, 2010 10:35 pm
Replies: 1
by yingma » Mon May 11, 2009 2:21 am

1 Replies

3677 Views

Last post by Shahla Chowdhury
Thu Feb 11, 2010 10:35 pm
U in POTPAR

Last post by boris « Thu Feb 11, 2010 8:10 am
Replies: 1
by rudra-b » Wed Feb 10, 2010 4:27 pm

1 Replies

3095 Views

Last post by boris
Thu Feb 11, 2010 8:10 am
Is there a way to 'lock' molecules as a group during relaxation/dynamics?

Last post by peterklaver « Wed Feb 10, 2010 8:18 pm
Replies: 3
by peterklaver » Fri Jan 29, 2010 11:24 am

3 Replies

4573 Views

Last post by peterklaver
Wed Feb 10, 2010 8:18 pm
HSE and Ultrasoft

Last post by miaoms « Wed Feb 10, 2010 5:43 pm
Replies: 2
by miaoms » Wed Feb 10, 2010 12:18 am

2 Replies

4069 Views

Last post by miaoms
Wed Feb 10, 2010 5:43 pm
Units of LDAUU

Last post by boris « Wed Feb 10, 2010 9:26 am
Replies: 3
by kpkuhl » Mon Feb 08, 2010 10:43 pm

3 Replies

4939 Views

Last post by boris
Wed Feb 10, 2010 9:26 am
band-structure calculation using GWA

Last post by giacomo giorgi « Wed Feb 10, 2010 2:50 am
Replies: 3
by motonaka » Thu May 28, 2009 6:20 am

3 Replies

7099 Views

Last post by giacomo giorgi
Wed Feb 10, 2010 2:50 am

New Topic

5839 topics

Page 233 of 292
- Jump to page:
Previous
1
…
231
232
233
234
235
…
292
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