Using VASP

Moderators: Global Moderator, Moderator

New Topic

5529 topics

Page 166 of 277
- Jump to page:
Previous
1
…
164
165
166
167
168
…
277
Next

Topics

Replies

Views

Last post

POTIM=0.2/ "working-node" restarts/ ISIF=2/Selective dynamics mode

Last post by admin « Wed Oct 02, 2013 1:37 pm
Replies: 1
by tilak » Wed Sep 25, 2013 2:29 pm

1 Replies

1890 Views

Last post by admin
Wed Oct 02, 2013 1:37 pm
Nudged Elastic Band for Migration Energy

Last post by admin « Wed Oct 02, 2013 10:13 am
Replies: 1
by thomasd » Tue Oct 01, 2013 9:25 pm

1 Replies

2081 Views

Last post by admin
Wed Oct 02, 2013 10:13 am
Jellium POTCAR

Last post by rjz9 « Mon Sep 30, 2013 9:19 pm
Replies: 2
by camilo » Thu Mar 07, 2013 11:55 pm

2 Replies

3024 Views

Last post by rjz9
Mon Sep 30, 2013 9:19 pm
b3lyp error

Last post by giacomo giorgi « Mon Sep 30, 2013 4:18 am
Replies: 2
by giacomo giorgi » Fri Sep 27, 2013 6:09 am

2 Replies

2474 Views

Last post by giacomo giorgi
Mon Sep 30, 2013 4:18 am
van der Waals correction, problem with GGA=RE INCAR file option

Last post by kelum « Thu Sep 26, 2013 9:22 pm
Replies: 7
by lukasz.rzeznik » Mon Sep 16, 2013 9:03 am

7 Replies

6214 Views

Last post by kelum
Thu Sep 26, 2013 9:22 pm
DOS run fails

Last post by hs-hnu « Thu Sep 26, 2013 11:16 am
Replies: 1
by abmo » Thu Sep 12, 2013 4:17 pm

1 Replies

2191 Views

Last post by hs-hnu
Thu Sep 26, 2013 11:16 am
POSCAR

Last post by hs-hnu « Thu Sep 26, 2013 11:14 am
Replies: 4
by jyoti » Fri Aug 23, 2013 12:52 pm

4 Replies

2645 Views

Last post by hs-hnu
Thu Sep 26, 2013 11:14 am
how does VASP calculate the charge density

Last post by hs-hnu « Thu Sep 26, 2013 11:08 am
Replies: 1
by alpha » Tue Sep 17, 2013 12:55 am

1 Replies

1996 Views

Last post by hs-hnu
Thu Sep 26, 2013 11:08 am
May I regard this as converged? (ZBRENT: fatal error in bracketing)

Last post by murphy « Thu Sep 26, 2013 10:58 am
Replies: 2
by murphy » Sun Jul 28, 2013 5:12 pm

2 Replies

4895 Views

Last post by murphy
Thu Sep 26, 2013 10:58 am
planar-averaged potential in the vacuum region is not a horizontal line

Last post by alex « Tue Sep 24, 2013 11:31 am

by alex » Tue Sep 24, 2013 11:31 am

0 Replies

1757 Views

Last post by alex
Tue Sep 24, 2013 11:31 am
Photoexcited Effects in VASP

Last post by limaojlu « Tue Sep 24, 2013 10:08 am
Replies: 1
by paulfons » Thu Jul 25, 2013 9:31 am

1 Replies

2438 Views

Last post by limaojlu
Tue Sep 24, 2013 10:08 am
How do I calculate ELF (electron localization function)

Last post by lgxyz « Mon Sep 23, 2013 1:59 am
Replies: 2
by Park Sohee » Tue Aug 03, 2010 6:38 am

2 Replies

6996 Views

Last post by lgxyz
Mon Sep 23, 2013 1:59 am
standard representation in Band structure

Last post by admin « Thu Sep 19, 2013 12:04 pm
Replies: 1
by ntuxi » Thu Sep 19, 2013 6:21 am

1 Replies

1781 Views

Last post by admin
Thu Sep 19, 2013 12:04 pm
Large Total Energy Drift in NVT MD Simulation

Last post by anoop « Thu Sep 19, 2013 11:38 am
Replies: 3
by anoop » Sun Sep 15, 2013 1:47 pm

3 Replies

3322 Views

Last post by anoop
Thu Sep 19, 2013 11:38 am
Constrained Optimization

Last post by admin « Thu Sep 19, 2013 10:49 am
Replies: 1
by aarondesk » Wed Sep 18, 2013 6:03 pm

1 Replies

2965 Views

Last post by admin
Thu Sep 19, 2013 10:49 am
The difference between PBE potential after VASP5

Last post by kelum « Wed Sep 18, 2013 10:19 am
Replies: 1
by ian800726 » Wed Sep 18, 2013 7:46 am

1 Replies

2977 Views

Last post by kelum
Wed Sep 18, 2013 10:19 am
XDATCAR changes into unphysical values

Last post by hosfa « Mon Sep 16, 2013 2:24 pm
Replies: 2
by hosfa » Mon Sep 16, 2013 11:22 am

2 Replies

2106 Views

Last post by hosfa
Mon Sep 16, 2013 2:24 pm
HSE06 magnetic calculation

Last post by baron25 « Mon Sep 16, 2013 6:42 am
Replies: 4
by tilak » Wed Jul 31, 2013 6:12 pm

4 Replies

3308 Views

Last post by baron25
Mon Sep 16, 2013 6:42 am
Single molecule total energy variation

Last post by Eduard « Thu Sep 12, 2013 2:54 pm
Replies: 2
by Eduard » Tue Sep 03, 2013 4:54 pm

2 Replies

2548 Views

Last post by Eduard
Thu Sep 12, 2013 2:54 pm
transition state vibrational frequencies

Last post by askhetan « Wed Sep 11, 2013 6:10 pm
Replies: 4
by mff7d » Mon Jun 25, 2007 6:27 pm

4 Replies

9110 Views

Last post by askhetan
Wed Sep 11, 2013 6:10 pm

New Topic

5529 topics

Page 166 of 277
- Jump to page:
Previous
1
…
164
165
166
167
168
…
277
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