Using VASP

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VASP with BoltzTraP

Last post by szpunarb « Thu Apr 10, 2014 8:28 pm
Replies: 23
by goja25 » Wed Jul 06, 2011 11:38 pm
1

2
23 Replies

32529 Views

Last post by szpunarb
Thu Apr 10, 2014 8:28 pm
PSMAXN error with larger ENMAX?

Last post by nsolomat « Thu Apr 03, 2014 10:57 pm
Replies: 2
by nsolomat » Thu Mar 06, 2014 12:28 am

2 Replies

3521 Views

Last post by nsolomat
Thu Apr 03, 2014 10:57 pm
cohesive energy of Silicon

Last post by Zary « Mon Mar 31, 2014 12:16 pm
Replies: 5
by farzaneh » Tue Sep 07, 2010 7:11 am

5 Replies

8709 Views

Last post by Zary
Mon Mar 31, 2014 12:16 pm
Set Electronic Temperature

Last post by paulfons « Thu Mar 20, 2014 9:10 am
Replies: 2
by robsimps » Fri Feb 14, 2014 9:27 pm

2 Replies

3619 Views

Last post by paulfons
Thu Mar 20, 2014 9:10 am
vdW-dF Change parameters?

Last post by kelum « Tue Mar 11, 2014 1:56 pm
Replies: 1
by novoselov » Sat Mar 08, 2014 10:57 pm

1 Replies

1965 Views

Last post by kelum
Tue Mar 11, 2014 1:56 pm
Very strong oscillation during convergence

Last post by tilak « Sun Mar 09, 2014 1:34 pm
Replies: 1
by tilak » Fri Feb 21, 2014 8:12 am

1 Replies

2208 Views

Last post by tilak
Sun Mar 09, 2014 1:34 pm
different nn-table in VASP & WIEN

Last post by admin « Thu Feb 27, 2014 11:41 am
Replies: 3
by tilak » Tue Feb 25, 2014 9:08 am

3 Replies

2532 Views

Last post by admin
Thu Feb 27, 2014 11:41 am
how to separate "d eps" and "ncg" column?

Last post by admin « Fri Feb 21, 2014 11:20 am
Replies: 1
by tilak » Thu Feb 20, 2014 8:13 pm

1 Replies

1971 Views

Last post by admin
Fri Feb 21, 2014 11:20 am
Work function calculations

Last post by cappri « Thu Feb 20, 2014 5:59 pm
Replies: 6
by cappri » Wed Feb 19, 2014 1:40 pm

6 Replies

7536 Views

Last post by cappri
Thu Feb 20, 2014 5:59 pm
Pt Surface

Last post by cappri « Wed Feb 19, 2014 1:36 pm
Replies: 2
by nkwem » Mon Feb 03, 2014 3:19 pm

2 Replies

2437 Views

Last post by cappri
Wed Feb 19, 2014 1:36 pm
Read WAVECAR file

Last post by KGov « Tue Feb 18, 2014 6:40 pm
Replies: 8
by oamnehc » Fri May 21, 2010 6:12 am

8 Replies

9517 Views

Last post by KGov
Tue Feb 18, 2014 6:40 pm
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

1961 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

20337 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

3995 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

2632 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

1767 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

2565 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

2565 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

2855 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

4331 Views

Last post by deep.phys08
Wed Feb 12, 2014 3:57 pm

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