Using VASP

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DFT-D2 of vasp 5.2.12

Last post by zhu « Tue Feb 18, 2014 2:44 pm
Replies: 1
by zhu » Tue Feb 18, 2014 2:41 pm

1 Replies

1365 Views

Last post by zhu
Tue Feb 18, 2014 2:44 pm
LDOS and work function

Last post by cappri « Tue Feb 18, 2014 1:36 pm
Replies: 8
by a.soon » Fri Dec 03, 2004 1:37 am

8 Replies

18351 Views

Last post by cappri
Tue Feb 18, 2014 1:36 pm
reading spin-texture in band structure calculation

Last post by urmi « Mon Feb 17, 2014 8:43 pm
Replies: 2
by urmi » Sun Dec 08, 2013 8:40 am

2 Replies

3051 Views

Last post by urmi
Mon Feb 17, 2014 8:43 pm
NEB submitting script

Last post by ccccc « Sun Feb 16, 2014 12:57 pm
Replies: 2
by ccccc » Mon Feb 10, 2014 2:16 pm

2 Replies

1804 Views

Last post by ccccc
Sun Feb 16, 2014 12:57 pm
Should supercell symmetry be expected in PROCAR

Last post by bmorgan « Fri Feb 14, 2014 1:12 pm
Replies: 1
by bmorgan » Fri Feb 14, 2014 1:04 pm

1 Replies

1045 Views

Last post by bmorgan
Fri Feb 14, 2014 1:12 pm
Fermi Velocity

Last post by admin « Fri Feb 14, 2014 11:45 am
Replies: 1
by kalpna » Sat Feb 08, 2014 12:01 pm

1 Replies

1609 Views

Last post by admin
Fri Feb 14, 2014 11:45 am
Sub-Space Hermitian Error...New Results

Last post by admin « Fri Feb 14, 2014 11:40 am
Replies: 1
by suddha » Thu Feb 06, 2014 10:02 am

1 Replies

1787 Views

Last post by admin
Fri Feb 14, 2014 11:40 am
The default direction of spin in collinear calculations.

Last post by Neutrino « Thu Feb 13, 2014 1:37 am
Replies: 3
by Neutrino » Wed Jan 22, 2014 4:23 am

3 Replies

1724 Views

Last post by Neutrino
Thu Feb 13, 2014 1:37 am
POTCAR for PW91

Last post by deep.phys08 « Wed Feb 12, 2014 3:57 pm
Replies: 2
by deep.phys08 » Mon Feb 10, 2014 10:31 pm

2 Replies

3546 Views

Last post by deep.phys08
Wed Feb 12, 2014 3:57 pm
SCF and NBANDS onvergence Problems in Atomic Systems

Last post by juhL « Sun Feb 09, 2014 6:06 pm
Replies: 4
by juhL » Fri Jan 10, 2014 4:10 pm

4 Replies

2193 Views

Last post by juhL
Sun Feb 09, 2014 6:06 pm
non collinear calculations

Last post by dtzeli « Fri Feb 07, 2014 3:07 pm
Replies: 2
by dtzeli » Thu Feb 06, 2014 3:56 pm

2 Replies

1749 Views

Last post by dtzeli
Fri Feb 07, 2014 3:07 pm
print out more digits in EIGENVAL or OUTPUT

Last post by admin « Tue Feb 04, 2014 6:46 pm
Replies: 1
by lawlietVASP » Wed Jan 29, 2014 2:39 am

1 Replies

1264 Views

Last post by admin
Tue Feb 04, 2014 6:46 pm
Error code was IERR=0 ... . Found N= 194 data.

Last post by admin « Tue Feb 04, 2014 6:36 pm
Replies: 1
by tilak » Mon Jan 27, 2014 9:45 am

1 Replies

3680 Views

Last post by admin
Tue Feb 04, 2014 6:36 pm
Sub-Space-Matrix is not hermitian in DAV

Last post by suddha « Tue Feb 04, 2014 12:53 pm
Replies: 2
by suddha » Thu Jan 30, 2014 4:18 pm

2 Replies

5371 Views

Last post by suddha
Tue Feb 04, 2014 12:53 pm
ISIF = 3 with some constraints

Last post by admin « Mon Feb 03, 2014 6:16 pm
Replies: 1
by kambiz » Fri Jan 31, 2014 6:00 am

1 Replies

1236 Views

Last post by admin
Mon Feb 03, 2014 6:16 pm
Core Level Shifts / XPS

Last post by metosa « Sat Feb 01, 2014 1:07 am
Replies: 2
by janh » Fri Aug 03, 2007 7:34 pm

2 Replies

8456 Views

Last post by metosa
Sat Feb 01, 2014 1:07 am
how to do back-folding of bandstructure

Last post by paume « Thu Jan 30, 2014 10:41 am
Replies: 2
by yuxiao_zihan » Thu Apr 17, 2008 10:52 am

2 Replies

2675 Views

Last post by paume
Thu Jan 30, 2014 10:41 am
How to calculate the band structure of supercell

Last post by paume « Thu Jan 30, 2014 10:26 am
Replies: 2
by chenweiguang » Mon Oct 20, 2008 10:47 am

2 Replies

5085 Views

Last post by paume
Thu Jan 30, 2014 10:26 am
Bandstructures unfolding

Last post by paume « Thu Jan 30, 2014 10:17 am
Replies: 2
by hpaudel » Wed May 09, 2012 7:26 pm

2 Replies

1962 Views

Last post by paume
Thu Jan 30, 2014 10:17 am
Brillouin-zone unfolding in VASP

Last post by paume « Thu Jan 30, 2014 10:16 am
Replies: 6
by Eugene » Tue Nov 17, 2009 2:37 am

6 Replies

4272 Views

Last post by paume
Thu Jan 30, 2014 10:16 am

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