Using VASP

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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

2147 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

2948 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

2972 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

3348 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

4846 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

3879 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

3233 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

2348 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

4999 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

7037 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

2372 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

10148 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

4118 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

6750 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

3394 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

6892 Views

Last post by paume
Thu Jan 30, 2014 10:16 am
unfolding of band structure

Last post by paume « Thu Jan 30, 2014 9:46 am
Replies: 2
by Lilia Woods » Wed May 15, 2013 8:04 pm

2 Replies

5523 Views

Last post by paume
Thu Jan 30, 2014 9:46 am
Bandstructure of Si in GW

Last post by Vijay@vasp « Wed Jan 29, 2014 11:35 am
Replies: 4
by liu » Wed Dec 05, 2012 7:53 am

4 Replies

4313 Views

Last post by Vijay@vasp
Wed Jan 29, 2014 11:35 am
Slab calculation

Last post by Bmodak « Wed Jan 29, 2014 7:09 am
Replies: 3
by Bmodak » Fri Jan 24, 2014 12:41 pm

3 Replies

3298 Views

Last post by Bmodak
Wed Jan 29, 2014 7:09 am
spin polarized calculation

Last post by alex « Tue Jan 28, 2014 9:46 am

by alex » Tue Jan 28, 2014 9:46 am

0 Replies

1830 Views

Last post by alex
Tue Jan 28, 2014 9:46 am

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