Using VASP

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zero-point and 300 K simulation

Last post by support_vasp « Thu Sep 12, 2024 8:51 am
Replies: 1
by lqzhang » Wed Apr 13, 2011 10:06 pm

1 Replies

1430 Views

Last post by support_vasp
Thu Sep 12, 2024 8:51 am
E_field, LVTOT: Why voltage drop is only one half ??

Last post by support_vasp « Thu Sep 12, 2024 8:51 am
Replies: 1
by jjhskang » Thu Sep 02, 2010 8:14 am

1 Replies

2766 Views

Last post by support_vasp
Thu Sep 12, 2024 8:51 am
problem: calculation the dipolemoment of the layered system

Last post by support_vasp « Thu Sep 12, 2024 8:51 am
Replies: 1
by guo,huaihong » Tue Dec 21, 2010 8:46 am

1 Replies

1663 Views

Last post by support_vasp
Thu Sep 12, 2024 8:51 am
How to understand two minimum energy paths for one diffusion?

Last post by support_vasp « Thu Sep 12, 2024 8:51 am
Replies: 1
by tracy » Thu May 21, 2009 3:31 am

1 Replies

1669 Views

Last post by support_vasp
Thu Sep 12, 2024 8:51 am
How to cleave (square root 3 x square root 3) surface from a bulk structure?

Last post by support_vasp « Thu Sep 12, 2024 8:51 am
Replies: 1
by yasin » Sun Apr 10, 2011 10:56 am

1 Replies

1590 Views

Last post by support_vasp
Thu Sep 12, 2024 8:51 am
error in caclulation of dielectric constant

Last post by support_vasp « Thu Sep 12, 2024 8:51 am
Replies: 1
by mayankaditya » Sat Apr 09, 2011 2:25 pm

1 Replies

1632 Views

Last post by support_vasp
Thu Sep 12, 2024 8:51 am
How to calculate the dipole correction for dipolar crystal

Last post by support_vasp « Thu Sep 12, 2024 8:50 am
Replies: 1
by ffdeli » Mon Jan 31, 2011 2:03 am

1 Replies

1461 Views

Last post by support_vasp
Thu Sep 12, 2024 8:50 am
Spin-Orbit calculation with born effective charge

Last post by support_vasp « Thu Sep 12, 2024 8:50 am
Replies: 1
by leostorm10 » Sun Dec 19, 2010 2:37 pm

1 Replies

2045 Views

Last post by support_vasp
Thu Sep 12, 2024 8:50 am
augmentation occupancies

Last post by support_vasp « Thu Sep 12, 2024 8:50 am
Replies: 1
by alex1981 » Tue Aug 31, 2010 2:50 am

1 Replies

2075 Views

Last post by support_vasp
Thu Sep 12, 2024 8:50 am
Dipole moment calculation during MD: supported or not?

Last post by support_vasp « Thu Sep 12, 2024 8:49 am
Replies: 1
by 5-903 » Sun Oct 14, 2012 9:58 pm

1 Replies

1969 Views

Last post by support_vasp
Thu Sep 12, 2024 8:49 am
Constant electric field

Last post by support_vasp « Thu Sep 12, 2024 8:49 am
Replies: 1
by Docy » Tue Oct 13, 2015 6:51 pm

1 Replies

1735 Views

Last post by support_vasp
Thu Sep 12, 2024 8:49 am
Graphene Band gap

Last post by support_vasp « Thu Sep 12, 2024 8:48 am
Replies: 1
by kalpna » Sun Feb 09, 2014 7:16 pm

1 Replies

1590 Views

Last post by support_vasp
Thu Sep 12, 2024 8:48 am
Hi everyone !!

Last post by support_vasp « Thu Sep 12, 2024 8:48 am
Replies: 1
by Anup Pandey » Mon Jan 14, 2013 5:40 pm

1 Replies

1219 Views

Last post by support_vasp
Thu Sep 12, 2024 8:48 am
VASP + wannier90 2.0.1 version (spinor option)

Last post by support_vasp « Thu Sep 12, 2024 8:48 am
Replies: 1
by Infant » Thu Sep 17, 2015 3:29 am

1 Replies

3043 Views

Last post by support_vasp
Thu Sep 12, 2024 8:48 am
SOC (canted)

Last post by support_vasp « Thu Sep 12, 2024 8:48 am
Replies: 1
by sajjad » Mon Oct 12, 2015 3:36 pm

1 Replies

1689 Views

Last post by support_vasp
Thu Sep 12, 2024 8:48 am
Plasma frequency Unit

Last post by support_vasp « Thu Sep 12, 2024 8:48 am
Replies: 1
by sajjad » Thu Oct 08, 2015 9:26 am

1 Replies

1781 Views

Last post by support_vasp
Thu Sep 12, 2024 8:48 am
Bader charges for Ge-Ge Dimers on Ge(2x1) surface

Last post by support_vasp « Thu Sep 12, 2024 8:47 am
Replies: 1
by Eugene » Mon Sep 07, 2015 7:04 am

1 Replies

1799 Views

Last post by support_vasp
Thu Sep 12, 2024 8:47 am
The exchange energy between the system and the bath

Last post by support_vasp « Thu Sep 12, 2024 8:47 am
Replies: 1
by wvno2 » Wed Sep 02, 2015 10:00 pm

1 Replies

1854 Views

Last post by support_vasp
Thu Sep 12, 2024 8:47 am
initial velocity of molecule with AIMD thermostat

Last post by support_vasp « Thu Sep 12, 2024 8:47 am
Replies: 1
by wvno2 » Wed Sep 02, 2015 4:10 pm

1 Replies

2141 Views

Last post by support_vasp
Thu Sep 12, 2024 8:47 am
problems about electronic field

Last post by support_vasp « Thu Sep 12, 2024 8:47 am
Replies: 1
by xinhuanwen » Wed Sep 12, 2012 3:47 pm

1 Replies

1183 Views

Last post by support_vasp
Thu Sep 12, 2024 8:47 am

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