Using VASP

Moderators: Global Moderator, Moderator

New Topic

5418 topics

Page 168 of 271
- Jump to page:
Previous
1
…
166
167
168
169
170
…
271
Next

Topics

Replies

Views

Last post

Warning after using vfin.pl

Last post by graeme « Mon Mar 11, 2013 9:43 pm
Replies: 1
by cappri » Mon Mar 11, 2013 4:31 pm

1 Replies

1053 Views

Last post by graeme
Mon Mar 11, 2013 9:43 pm
WARNING: Sub-Space-Matrix is not hermitian in DAV in VASP 5.3

Last post by hatdau « Mon Mar 11, 2013 5:51 pm
Replies: 1
by ksaha » Mon Jan 14, 2013 11:44 pm

1 Replies

6152 Views

Last post by hatdau
Mon Mar 11, 2013 5:51 pm
number of G-vector changed in star

Last post by admin « Mon Mar 11, 2013 1:45 pm
Replies: 2
by dft22000 » Tue Oct 11, 2011 11:38 am

2 Replies

9363 Views

Last post by admin
Mon Mar 11, 2013 1:45 pm
magnetization of isolated molecule

Last post by Mingtao « Sun Mar 10, 2013 10:18 pm
Replies: 2
by Mingtao » Thu Feb 21, 2013 9:59 pm

2 Replies

1266 Views

Last post by Mingtao
Sun Mar 10, 2013 10:18 pm
VERY BAD NEWS! internal error in subroutine IBZKPT ??

Last post by hzkvictory « Fri Mar 08, 2013 5:01 am
Replies: 4
by lahaye » Thu Jun 01, 2006 1:16 pm

4 Replies

5003 Views

Last post by hzkvictory
Fri Mar 08, 2013 5:01 am
Fermi level shift to Valence Band in Hexagonal Cell

Last post by tlchan « Thu Mar 07, 2013 4:47 am
Replies: 1
by Eugene » Sat Mar 02, 2013 2:25 am

1 Replies

2218 Views

Last post by tlchan
Thu Mar 07, 2013 4:47 am
Charged Supercell Calculations / Dipoles

Last post by tlchan « Thu Mar 07, 2013 4:31 am
Replies: 1
by aemly » Fri Feb 22, 2013 5:29 pm

1 Replies

3173 Views

Last post by tlchan
Thu Mar 07, 2013 4:31 am
local minimum energy

Last post by hipertrofia « Wed Mar 06, 2013 7:32 pm
Replies: 1
by Gu Chenjie » Mon Mar 04, 2013 3:11 am

1 Replies

1890 Views

Last post by hipertrofia
Wed Mar 06, 2013 7:32 pm
Virtual Crystal Approximation (VASP5.3.3)

Last post by buchi25 « Wed Mar 06, 2013 1:04 pm
Replies: 2
by buchi25 » Wed Mar 06, 2013 9:00 am

2 Replies

2146 Views

Last post by buchi25
Wed Mar 06, 2013 1:04 pm
OUTCAR parameter mean

Last post by admin « Tue Mar 05, 2013 2:08 pm
Replies: 1
by sammu09 » Mon Mar 04, 2013 9:53 pm

1 Replies

1390 Views

Last post by admin
Tue Mar 05, 2013 2:08 pm
about the special K points in the reciprocal lattice

Last post by admin « Fri Mar 01, 2013 1:58 pm

by admin » Fri Mar 01, 2013 1:58 pm

0 Replies

974 Views

Last post by admin
Fri Mar 01, 2013 1:58 pm
volume optimization

Last post by zsoltrak « Thu Feb 28, 2013 5:05 pm
Replies: 2
by zsoltrak » Tue Feb 26, 2013 7:57 pm

2 Replies

1246 Views

Last post by zsoltrak
Thu Feb 28, 2013 5:05 pm
How to VASP calculate core level ?

Last post by admin « Thu Feb 28, 2013 2:27 pm
Replies: 1
by vasp5 » Thu Feb 21, 2013 12:58 am

1 Replies

1253 Views

Last post by admin
Thu Feb 28, 2013 2:27 pm
Density of states plot

Last post by againsmile « Wed Feb 27, 2013 3:22 am
Replies: 2
by againsmile » Tue Feb 26, 2013 8:19 am

2 Replies

2461 Views

Last post by againsmile
Wed Feb 27, 2013 3:22 am
Spin orbit interaction

Last post by saurabhfor02 « Tue Feb 26, 2013 10:09 pm
Replies: 1
by hpaudel » Sun Feb 19, 2012 11:05 pm

1 Replies

2252 Views

Last post by saurabhfor02
Tue Feb 26, 2013 10:09 pm
To speed up GW0 calculations

Last post by huangj3 « Tue Feb 19, 2013 5:58 pm
Replies: 2
by huangj3 » Mon Feb 18, 2013 8:51 pm

2 Replies

1621 Views

Last post by huangj3
Tue Feb 19, 2013 5:58 pm
the normal potential and pv potential of the elements

Last post by admin « Mon Feb 18, 2013 4:18 pm
Replies: 1
by luke419 » Sat Feb 16, 2013 7:05 pm

1 Replies

1610 Views

Last post by admin
Mon Feb 18, 2013 4:18 pm
A theoretical question about DFT+U method.

Last post by tlchan « Sat Feb 16, 2013 7:24 am
Replies: 1
by askhetan » Mon Jan 28, 2013 1:45 pm

1 Replies

1251 Views

Last post by tlchan
Sat Feb 16, 2013 7:24 am
madelung correction for charged system

Last post by tlchan « Sat Feb 16, 2013 7:15 am
Replies: 1
by nwan » Mon Jan 14, 2013 6:17 am

1 Replies

1373 Views

Last post by tlchan
Sat Feb 16, 2013 7:15 am
how to identify KS orbitals occupied by the impurity atom?

Last post by tlchan « Sat Feb 16, 2013 7:13 am
Replies: 1
by bsmile » Thu Jan 17, 2013 2:51 am

1 Replies

1014 Views

Last post by tlchan
Sat Feb 16, 2013 7:13 am

New Topic

5418 topics

Page 168 of 271
- Jump to page:
Previous
1
…
166
167
168
169
170
…
271
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