Using VASP

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Bizarre behavior while using PW91 vasp.5.3

Last post by admin « Thu Jan 16, 2014 4:03 pm
Replies: 1
by Paul_Brown » Tue Jan 14, 2014 7:20 pm

1 Replies

1384 Views

Last post by admin
Thu Jan 16, 2014 4:03 pm
SCF convergence issue of YIG system

Last post by lawlietVASP « Thu Jan 16, 2014 7:43 am
Replies: 1
by ksaha » Thu Jan 31, 2013 8:15 pm

1 Replies

1989 Views

Last post by lawlietVASP
Thu Jan 16, 2014 7:43 am
simulation of surface with a given kspacing

Last post by admin « Wed Jan 15, 2014 12:39 pm
Replies: 1
by shyam » Thu Dec 26, 2013 3:00 pm

1 Replies

1128 Views

Last post by admin
Wed Jan 15, 2014 12:39 pm
Monkhorst - Pack mesh with a k-spacing of 0.12/ Ǻ

Last post by admin « Wed Jan 15, 2014 12:35 pm
Replies: 1
by Vipin » Wed Dec 18, 2013 10:22 am

1 Replies

1151 Views

Last post by admin
Wed Jan 15, 2014 12:35 pm
NEB interpolation

Last post by ccccc « Tue Jan 14, 2014 12:50 pm
Replies: 2
by ccccc » Mon Jan 13, 2014 4:57 pm

2 Replies

1840 Views

Last post by ccccc
Tue Jan 14, 2014 12:50 pm
Fermi surface

Last post by urpach « Tue Jan 14, 2014 11:45 am
Replies: 11
by Kitaura » Tue Sep 23, 2008 7:48 am

11 Replies

11968 Views

Last post by urpach
Tue Jan 14, 2014 11:45 am
What are the units of SMASS?

Last post by xamnidar « Fri Jan 10, 2014 12:58 am
Replies: 1
by xamnidar » Thu Dec 05, 2013 11:50 pm

1 Replies

1509 Views

Last post by xamnidar
Fri Jan 10, 2014 12:58 am
Variational principle

Last post by stephan « Tue Jan 07, 2014 3:06 pm
Replies: 3
by tjf » Thu Jan 18, 2007 12:29 pm

3 Replies

2357 Views

Last post by stephan
Tue Jan 07, 2014 3:06 pm
how to obtain the HEAD of the dielectric tensor

Last post by eariel « Tue Jan 07, 2014 1:10 pm
Replies: 1
by eariel » Fri Dec 20, 2013 8:42 pm

1 Replies

1600 Views

Last post by eariel
Tue Jan 07, 2014 1:10 pm
How to select N1,N2,N3 in k-point file.

Last post by eariel « Tue Jan 07, 2014 11:35 am
Replies: 6
by shyam » Mon Dec 23, 2013 7:41 am

6 Replies

2768 Views

Last post by eariel
Tue Jan 07, 2014 11:35 am
Differentiate between H+ and H

Last post by alex « Tue Jan 07, 2014 10:55 am
Replies: 1
by Fauzee » Tue Jan 07, 2014 7:41 am

1 Replies

1000 Views

Last post by alex
Tue Jan 07, 2014 10:55 am
spin-orbit coupling of Bi2Te3

Last post by mickeyshaughnessy « Tue Jan 07, 2014 12:27 am
Replies: 3
by bioggg » Fri Dec 27, 2013 4:30 pm

3 Replies

2285 Views

Last post by mickeyshaughnessy
Tue Jan 07, 2014 12:27 am
Where is my HOMO?

Last post by WolverBean « Tue Jan 07, 2014 12:17 am
Replies: 2
by kmkumar » Thu Jan 02, 2014 5:36 pm

2 Replies

1807 Views

Last post by WolverBean
Tue Jan 07, 2014 12:17 am
Correct relaxation steps for (anti)ferromagnetism materials

Last post by Yue-Wen Fang « Mon Jan 06, 2014 8:20 am
Replies: 2
by Yue-Wen Fang » Tue Dec 31, 2013 10:42 am

2 Replies

4117 Views

Last post by Yue-Wen Fang
Mon Jan 06, 2014 8:20 am
Hybrid functionals, recommended practice for defects calculations

Last post by WolverBean « Sun Jan 05, 2014 7:19 pm
Replies: 2
by Neutrino » Wed Aug 28, 2013 5:26 pm

2 Replies

2101 Views

Last post by WolverBean
Sun Jan 05, 2014 7:19 pm
LSDA+U for Hydrogen addition

Last post by WolverBean « Sun Jan 05, 2014 6:39 pm
Replies: 1
by ccccc » Mon Dec 16, 2013 3:40 pm

1 Replies

1357 Views

Last post by WolverBean
Sun Jan 05, 2014 6:39 pm
Convergence issues in spinpolarized calculations of adsorbates on TM surfaces

Last post by WolverBean « Sun Jan 05, 2014 6:17 pm
Replies: 1
by kolb_surfcat » Thu Dec 19, 2013 11:22 am

1 Replies

1771 Views

Last post by WolverBean
Sun Jan 05, 2014 6:17 pm
how to I start a job that does not finish 1 ionic step due to size

Last post by admin « Fri Jan 03, 2014 1:16 pm
Replies: 1
by browningcitori » Mon Dec 30, 2013 4:00 pm

1 Replies

1071 Views

Last post by admin
Fri Jan 03, 2014 1:16 pm
no initial positions read in

Last post by admin « Thu Jan 02, 2014 1:05 pm
Replies: 9
by linglin » Wed Apr 09, 2008 1:40 am

9 Replies

9087 Views

Last post by admin
Thu Jan 02, 2014 1:05 pm
How to set kpoints file in simulation of surfaces.

Last post by sanghongqian « Tue Dec 31, 2013 3:20 pm
Replies: 1
by shyam » Tue Dec 24, 2013 3:56 pm

1 Replies

1117 Views

Last post by sanghongqian
Tue Dec 31, 2013 3:20 pm

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