Using VASP

Moderators: Global Moderator, Moderator

New Topic

5324 topics

Page 156 of 267
- Jump to page:
Previous
1
…
154
155
156
157
158
…
267
Next

Topics

Replies

Views

Last post

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

1486 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

1520 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

1231 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

3518 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

1135 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

1679 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

5835 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

1071 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

2418 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

2191 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

2308 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

1316 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

2184 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

1760 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

7536 Views

Last post by askhetan
Wed Sep 11, 2013 6:10 pm
Checking the spin multiplicity of the calculated system

Last post by alex « Wed Sep 11, 2013 8:52 am
Replies: 1
by mpoemis » Wed Sep 11, 2013 1:58 am

1 Replies

1533 Views

Last post by alex
Wed Sep 11, 2013 8:52 am
Precision of EIGENVAL output

Last post by darshw « Wed Sep 11, 2013 8:31 am
Replies: 2
by darshw » Tue Sep 10, 2013 2:09 am

2 Replies

1483 Views

Last post by darshw
Wed Sep 11, 2013 8:31 am
spin orbit NSCF calculation

Last post by giacomo giorgi « Fri Sep 06, 2013 12:32 pm
Replies: 2
by giacomo giorgi » Tue Aug 27, 2013 2:07 pm

2 Replies

1998 Views

Last post by giacomo giorgi
Fri Sep 06, 2013 12:32 pm
question about the CHG and CHGCAR file

Last post by ydjameslee « Fri Sep 06, 2013 10:23 am
Replies: 2
by ydjameslee » Mon Aug 26, 2013 9:25 am

2 Replies

1638 Views

Last post by ydjameslee
Fri Sep 06, 2013 10:23 am
Zero Point Energy in VASP

Last post by perez2013 « Thu Sep 05, 2013 8:14 pm
Replies: 13
by askhetan » Mon Dec 03, 2012 4:29 pm

13 Replies

22174 Views

Last post by perez2013
Thu Sep 05, 2013 8:14 pm

New Topic

5324 topics

Page 156 of 267
- Jump to page:
Previous
1
…
154
155
156
157
158
…
267
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