Using VASP

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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

2766 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

2221 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

2691 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

2744 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

4159 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

3712 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

3265 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

3286 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

2753 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

2797 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

2381 Views

Last post by tlchan
Sat Feb 16, 2013 7:13 am
Hybrid functionals with tetrahedron method

Last post by admin « Fri Feb 15, 2013 4:14 pm
Replies: 1
by magal » Thu Feb 14, 2013 2:15 pm

1 Replies

4052 Views

Last post by admin
Fri Feb 15, 2013 4:14 pm
ELECTROSTATIC POTENTIAL MAP

Last post by gelemsso « Thu Feb 14, 2013 3:39 am
Replies: 2
by gelemsso » Fri Feb 08, 2013 6:35 pm

2 Replies

6764 Views

Last post by gelemsso
Thu Feb 14, 2013 3:39 am
Gibbs Free energy

Last post by alex « Mon Feb 11, 2013 4:09 pm
Replies: 5
by cappri » Mon Feb 04, 2013 5:28 pm

5 Replies

5492 Views

Last post by alex
Mon Feb 11, 2013 4:09 pm
New Pseudopotentials

Last post by fan27713 « Mon Feb 11, 2013 6:52 am
Replies: 4
by askhetan » Thu Jan 10, 2013 1:14 pm

4 Replies

3949 Views

Last post by fan27713
Mon Feb 11, 2013 6:52 am
Formation Energy

Last post by admin « Thu Feb 07, 2013 12:38 pm
Replies: 1
by sunny » Tue Feb 05, 2013 3:39 pm

1 Replies

2861 Views

Last post by admin
Thu Feb 07, 2013 12:38 pm
Band structure calcualtions

Last post by admin « Tue Feb 05, 2013 4:49 pm
Replies: 1
by sunny » Tue Feb 05, 2013 3:36 pm

1 Replies

2196 Views

Last post by admin
Tue Feb 05, 2013 4:49 pm
How to perform GW calculation in vasp5.2?

Last post by mika « Tue Feb 05, 2013 10:13 am
Replies: 1
by xfh00 » Wed Sep 16, 2009 6:53 am

1 Replies

2750 Views

Last post by mika
Tue Feb 05, 2013 10:13 am
converging M06L calculations

Last post by WolverBean « Sat Feb 02, 2013 3:20 am
Replies: 3
by WolverBean » Thu Nov 08, 2012 7:58 pm

3 Replies

6583 Views

Last post by WolverBean
Sat Feb 02, 2013 3:20 am
Time Dependent DFT (TDDFT)

Last post by fme3535 « Wed Jan 30, 2013 10:47 pm
Replies: 1
by cmuhich » Mon Jan 07, 2013 6:49 pm

1 Replies

4836 Views

Last post by fme3535
Wed Jan 30, 2013 10:47 pm

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