Using VASP

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test criteria for vacuum region for surface calculation

Last post by apple « Wed Feb 23, 2011 5:03 am
Replies: 1
by engr1 » Tue Feb 22, 2011 9:58 am

1 Replies

1878 Views

Last post by apple
Wed Feb 23, 2011 5:03 am
average potential

Last post by superyoyo « Tue Feb 22, 2011 8:02 am
Replies: 3
by zsoltrak » Tue Aug 19, 2008 9:21 pm

3 Replies

3922 Views

Last post by superyoyo
Tue Feb 22, 2011 8:02 am
band offset

Last post by Gu Chenjie « Mon Feb 21, 2011 7:55 am
Replies: 2
by priya » Wed May 31, 2006 10:48 am

2 Replies

3219 Views

Last post by Gu Chenjie
Mon Feb 21, 2011 7:55 am
local magnetic moments

Last post by fcossu « Mon Feb 21, 2011 7:54 am
Replies: 3
by mirecek » Wed Apr 27, 2005 11:01 am

3 Replies

2352 Views

Last post by fcossu
Mon Feb 21, 2011 7:54 am
Strange ICHARG=11 Vs ICHARG=1 behavior

Last post by forsdan « Sun Feb 20, 2011 11:13 am
Replies: 5
by jsfilhol » Fri Jul 20, 2007 11:23 am

5 Replies

3256 Views

Last post by forsdan
Sun Feb 20, 2011 11:13 am
GGA+U's convergence

Last post by ngold « Thu Feb 17, 2011 11:26 pm
Replies: 2
by Burns » Tue Jun 08, 2010 12:49 am

2 Replies

1575 Views

Last post by ngold
Thu Feb 17, 2011 11:26 pm
LDA+U problem (band gap not consistent)

Last post by superyoyo « Sun Feb 13, 2011 3:11 am
Replies: 2
by superyoyo » Sat Feb 12, 2011 12:33 pm

2 Replies

4161 Views

Last post by superyoyo
Sun Feb 13, 2011 3:11 am
Extending NEB to other temperatures

Last post by graeme « Tue Feb 08, 2011 3:31 am
Replies: 1
by kambiz » Mon Feb 07, 2011 11:59 pm

1 Replies

1471 Views

Last post by graeme
Tue Feb 08, 2011 3:31 am
DOS

Last post by sankh « Sun Feb 06, 2011 7:26 pm
Replies: 4
by apple » Thu Jan 13, 2011 10:59 pm

4 Replies

5322 Views

Last post by sankh
Sun Feb 06, 2011 7:26 pm
VASP overshooting Cell Volume and Lattice constants

Last post by sankh « Sun Feb 06, 2011 1:46 am
Replies: 4
by sankh » Wed Jan 05, 2011 5:53 pm

4 Replies

5248 Views

Last post by sankh
Sun Feb 06, 2011 1:46 am
Calcium potentials

Last post by admin « Fri Feb 04, 2011 3:49 pm

by admin » Fri Feb 04, 2011 3:49 pm

0 Replies

948 Views

Last post by admin
Fri Feb 04, 2011 3:49 pm
Pulay/Broyden mixing

Last post by admin « Fri Feb 04, 2011 3:35 pm
Replies: 1
by hannathamleena » Fri Jan 14, 2011 3:31 am

1 Replies

1668 Views

Last post by admin
Fri Feb 04, 2011 3:35 pm
NPAR and NSIM affecting the stress tensor

Last post by admin « Fri Feb 04, 2011 3:22 pm
Replies: 1
by tomic » Tue Feb 01, 2011 12:10 am

1 Replies

1315 Views

Last post by admin
Fri Feb 04, 2011 3:22 pm
DOS run warning to be worried or not?

Last post by admin « Fri Feb 04, 2011 3:16 pm
Replies: 1
by sankh » Tue Feb 01, 2011 1:29 am

1 Replies

1936 Views

Last post by admin
Fri Feb 04, 2011 3:16 pm
PREC=High Setting

Last post by Micah « Fri Feb 04, 2011 4:57 am
Replies: 3
by Micah » Thu Feb 03, 2011 3:04 am

3 Replies

1308 Views

Last post by Micah
Fri Feb 04, 2011 4:57 am
writing OUTCAR problem

Last post by alex « Thu Feb 03, 2011 8:12 am
Replies: 1
by leostorm10 » Thu Feb 03, 2011 6:02 am

1 Replies

1871 Views

Last post by alex
Thu Feb 03, 2011 8:12 am
defining a cons

Last post by admin « Wed Feb 02, 2011 1:44 pm
Replies: 1
by kambiz » Tue Feb 01, 2011 3:39 am

1 Replies

994 Views

Last post by admin
Wed Feb 02, 2011 1:44 pm
Bandstructure problem

Last post by neo « Wed Feb 02, 2011 4:04 am
Replies: 3
by neo » Wed Oct 13, 2010 4:29 am

3 Replies

2257 Views

Last post by neo
Wed Feb 02, 2011 4:04 am
Bandstructure Problem vasp5.2

Last post by neo « Wed Feb 02, 2011 3:38 am
Replies: 2
by neo » Fri Jan 28, 2011 6:06 pm

2 Replies

1415 Views

Last post by neo
Wed Feb 02, 2011 3:38 am
obtaining hamiltonian matrix

Last post by admin « Mon Jan 31, 2011 3:06 pm
Replies: 3
by edurgun » Sun Oct 23, 2005 9:46 pm

3 Replies

2527 Views

Last post by admin
Mon Jan 31, 2011 3:06 pm

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