Using VASP

Moderators: Global Moderator, Moderator

New Topic

5593 topics

Page 170 of 280
- Jump to page:
Previous
1
…
168
169
170
171
172
…
280
Next

Topics

Replies

Views

Last post

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

3426 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

2527 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

3854 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

3011 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

9942 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

2835 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

2593 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

3696 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

2947 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

29243 Views

Last post by perez2013
Thu Sep 05, 2013 8:14 pm
Spin orbit coupling energy

Last post by ido « Wed Sep 04, 2013 2:34 pm
Replies: 2
by ido » Tue Aug 27, 2013 9:59 am

2 Replies

2868 Views

Last post by ido
Wed Sep 04, 2013 2:34 pm
Dependence of Gamma point band gap on directions within HSE06

Last post by admin « Tue Sep 03, 2013 12:30 pm
Replies: 1
by bakulin » Sat Aug 10, 2013 11:44 am

1 Replies

2596 Views

Last post by admin
Tue Sep 03, 2013 12:30 pm
xps spectra in vasp

Last post by admin « Tue Sep 03, 2013 10:01 am
Replies: 1
by shyam » Mon Sep 02, 2013 10:38 am

1 Replies

2806 Views

Last post by admin
Tue Sep 03, 2013 10:01 am
DOSCAR format

Last post by mohsinj677 « Mon Sep 02, 2013 6:44 am
Replies: 5
by tholme » Tue Aug 13, 2013 1:55 am

5 Replies

4710 Views

Last post by mohsinj677
Mon Sep 02, 2013 6:44 am
calcuating ldos and pdos.

Last post by mohsinj677 « Mon Sep 02, 2013 6:43 am
Replies: 4
by shyam » Thu Aug 22, 2013 10:49 am

4 Replies

4012 Views

Last post by mohsinj677
Mon Sep 02, 2013 6:43 am
Question about OPTIC file

Last post by admin « Fri Aug 30, 2013 12:59 pm
Replies: 1
by hpaudel » Thu Aug 29, 2013 6:48 pm

1 Replies

2612 Views

Last post by admin
Fri Aug 30, 2013 12:59 pm
PDOS gap states not appearing

Last post by conn.orourke « Thu Aug 29, 2013 12:47 pm
Replies: 2
by conn.orourke » Sat Aug 24, 2013 12:32 pm

2 Replies

2568 Views

Last post by conn.orourke
Thu Aug 29, 2013 12:47 pm
Constrained Force Relaxation

Last post by admin « Thu Aug 29, 2013 11:37 am
Replies: 1
by sonium » Wed Jul 17, 2013 3:02 pm

1 Replies

1950 Views

Last post by admin
Thu Aug 29, 2013 11:37 am
nearest neighbor table

Last post by admin « Thu Aug 29, 2013 11:27 am
Replies: 1
by bandri » Tue Aug 06, 2013 6:16 pm

1 Replies

3083 Views

Last post by admin
Thu Aug 29, 2013 11:27 am
confusion with NWRITE=3

Last post by admin « Thu Aug 29, 2013 11:24 am
Replies: 1
by askhetan » Mon Aug 12, 2013 12:41 pm

1 Replies

3640 Views

Last post by admin
Thu Aug 29, 2013 11:24 am

New Topic

5593 topics

Page 170 of 280
- Jump to page:
Previous
1
…
168
169
170
171
172
…
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