Using VASP

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The HSE06 calculations about band structures

Last post by yanzilai « Mon Jan 27, 2014 3:57 am
Replies: 2
by yanzilai » Sun Jan 26, 2014 4:02 pm

2 Replies

3403 Views

Last post by yanzilai
Mon Jan 27, 2014 3:57 am
Abnormally High Ionic Polarization

Last post by mashton « Fri Jan 24, 2014 4:20 pm
Replies: 1
by mashton » Mon Dec 09, 2013 10:49 pm

1 Replies

2479 Views

Last post by mashton
Fri Jan 24, 2014 4:20 pm
how to calculate stabilization due to vdW when using vdW-DF?

Last post by stephan « Tue Jan 21, 2014 11:50 am
Replies: 1
by Ghorbanpour » Tue Jan 21, 2014 7:59 am

1 Replies

2895 Views

Last post by stephan
Tue Jan 21, 2014 11:50 am
about the energy calculated by vdW-DF2

Last post by lukasz.rzeznik « Mon Jan 20, 2014 5:02 pm
Replies: 1
by dwyuan » Wed Jan 08, 2014 8:00 am

1 Replies

2301 Views

Last post by lukasz.rzeznik
Mon Jan 20, 2014 5:02 pm
Constant-pressure MD Trajectory reference point

Last post by Vahid Askarpour « Mon Jan 20, 2014 2:39 pm
Replies: 1
by Vahid Askarpour » Sat Jan 18, 2014 9:59 pm

1 Replies

2287 Views

Last post by Vahid Askarpour
Mon Jan 20, 2014 2:39 pm
Positive Total energy in the calculation

Last post by admin « Mon Jan 20, 2014 11:55 am
Replies: 1
by Jaehyung » Sun Jan 19, 2014 8:46 am

1 Replies

2929 Views

Last post by admin
Mon Jan 20, 2014 11:55 am
NELEC

Last post by admin « Mon Jan 20, 2014 11:29 am
Replies: 1
by hayak » Sun Jan 19, 2014 4:04 pm

1 Replies

2821 Views

Last post by admin
Mon Jan 20, 2014 11:29 am
the effect of thermal expansion on DOS

Last post by elhmo « Thu Jan 16, 2014 4:29 pm
Replies: 2
by elhmo » Thu Jan 16, 2014 1:03 pm

2 Replies

2667 Views

Last post by elhmo
Thu Jan 16, 2014 4:29 pm
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

2587 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

3173 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

2355 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

2340 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

3173 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

15841 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

2563 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

3948 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

3137 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

5328 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

2047 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

4066 Views

Last post by mickeyshaughnessy
Tue Jan 07, 2014 12:27 am

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