Using VASP

Moderators: Global Moderator, Moderator

New Topic

5821 topics

Page 197 of 292
- Jump to page:
Previous
1
…
195
196
197
198
199
…
292
Next

Topics

Replies

Views

Last post

Partial Charge density

Last post by poorvasingh « Fri Jun 29, 2012 9:35 am
Replies: 2
by poorvasingh » Thu Jun 28, 2012 1:29 pm

2 Replies

3852 Views

Last post by poorvasingh
Fri Jun 29, 2012 9:35 am
relaxation with external electric field

Last post by admin « Tue Jun 26, 2012 10:55 am
Replies: 2
by Li Huang » Mon Mar 19, 2012 9:58 pm

2 Replies

3797 Views

Last post by admin
Tue Jun 26, 2012 10:55 am
LOPTICS in hexagonal system & CSHIFT problem

Last post by hatdau « Mon Jun 25, 2012 10:57 pm
Replies: 2
by hatdau » Wed Jun 20, 2012 11:10 pm

2 Replies

3213 Views

Last post by hatdau
Mon Jun 25, 2012 10:57 pm
effect of ISMEAR on the Fermi level during the calculation

Last post by kambiz « Mon Jun 25, 2012 3:39 am
Replies: 2
by Gu Chenjie » Sun Jun 10, 2012 4:39 am

2 Replies

3493 Views

Last post by kambiz
Mon Jun 25, 2012 3:39 am
NEB distances in the MEP

Last post by kambiz « Mon Jun 25, 2012 3:37 am
Replies: 1
by var » Tue Jun 19, 2012 7:21 pm

1 Replies

2508 Views

Last post by kambiz
Mon Jun 25, 2012 3:37 am
GW band structure

Last post by admin « Fri Jun 22, 2012 2:26 pm
Replies: 1
by piquini » Thu Jun 21, 2012 7:20 pm

1 Replies

3011 Views

Last post by admin
Fri Jun 22, 2012 2:26 pm
How to Generate Hydrogen with smaller Valence number

Last post by tlchan « Wed Jun 20, 2012 4:19 am
Replies: 1
by b_lack » Tue Jun 05, 2012 5:11 am

1 Replies

2406 Views

Last post by tlchan
Wed Jun 20, 2012 4:19 am
non-relativistically generated PAW

Last post by admin « Tue Jun 19, 2012 2:30 pm
Replies: 1
by byhill » Sat Jun 16, 2012 8:21 pm

1 Replies

2460 Views

Last post by admin
Tue Jun 19, 2012 2:30 pm
geometric optimization problem

Last post by admin « Tue Jun 19, 2012 1:46 pm
Replies: 1
by luke419 » Mon Jun 18, 2012 4:39 am

1 Replies

3140 Views

Last post by admin
Tue Jun 19, 2012 1:46 pm
WARNING: Sub-Space-Matrix is not hermitian in DAV in VASP 5.2

Last post by admin « Mon Jun 18, 2012 1:43 pm
Replies: 1
by SchrodingersCat » Mon Jun 18, 2012 5:13 am

1 Replies

3404 Views

Last post by admin
Mon Jun 18, 2012 1:43 pm
No of Ionic steps for Frequency Calculation

Last post by camilo « Fri Jun 08, 2012 1:56 am
Replies: 10
by kambiz » Sat Mar 12, 2011 2:36 am

10 Replies

8699 Views

Last post by camilo
Fri Jun 08, 2012 1:56 am
GW and lines in k-space for bandstructure?

Last post by hess8 « Fri Jun 08, 2012 1:43 am
Replies: 2
by hess8 » Thu May 24, 2012 11:46 pm

2 Replies

3224 Views

Last post by hess8
Fri Jun 08, 2012 1:43 am
Deformations in different directions

Last post by Neutrino « Tue Jun 05, 2012 11:41 pm
Replies: 1
by Neutrino » Sat Jun 02, 2012 3:26 am

1 Replies

3383 Views

Last post by Neutrino
Tue Jun 05, 2012 11:41 pm
VCA in Vasp

Last post by admin « Mon Jun 04, 2012 9:56 am
Replies: 1
by ahromero » Mon Jun 04, 2012 9:08 am

1 Replies

3653 Views

Last post by admin
Mon Jun 04, 2012 9:56 am
electronic minimisation not converged

Last post by Neutrino « Sat Jun 02, 2012 3:19 am
Replies: 2
by vasp_user » Sun May 20, 2012 2:38 am

2 Replies

4090 Views

Last post by Neutrino
Sat Jun 02, 2012 3:19 am
DOS calculations on gas phase benzene

Last post by Danny « Fri Jun 01, 2012 5:35 pm
Replies: 6
by camilo » Thu May 24, 2012 3:45 am

6 Replies

6465 Views

Last post by Danny
Fri Jun 01, 2012 5:35 pm
ZnO bulk calculations using GW potentials

Last post by simoneca « Thu May 31, 2012 12:06 pm
Replies: 1
by Kester » Sat May 26, 2012 2:04 pm

1 Replies

3695 Views

Last post by simoneca
Thu May 31, 2012 12:06 pm
error in band structure calculation

Last post by luke419 « Thu May 31, 2012 4:11 am
Replies: 2
by luke419 » Tue May 29, 2012 4:42 am

2 Replies

4056 Views

Last post by luke419
Thu May 31, 2012 4:11 am
PDOS of f electrons

Last post by jlbettis « Wed May 30, 2012 11:06 pm
Replies: 2
by TMAC » Fri May 25, 2012 3:23 pm

2 Replies

4523 Views

Last post by jlbettis
Wed May 30, 2012 11:06 pm
Is the Spin-Orbit coupling included in Spin-Spiral calculation?

Last post by geng « Fri May 25, 2012 10:47 pm
Replies: 1
by geng » Thu May 03, 2012 9:27 pm

1 Replies

2942 Views

Last post by geng
Fri May 25, 2012 10:47 pm

New Topic

5821 topics

Page 197 of 292
- Jump to page:
Previous
1
…
195
196
197
198
199
…
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