Using VASP

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about the parity of wavefunction

Last post by support_vasp « Thu Sep 12, 2024 8:52 am
Replies: 1
by xinhuanwen » Thu Jun 02, 2011 12:28 pm

1 Replies

2181 Views

Last post by support_vasp
Thu Sep 12, 2024 8:52 am
Large Energy Drift in Long Running Molecular Dynamics

Last post by support_vasp « Thu Sep 12, 2024 8:52 am
Replies: 1
by abalone » Wed Jun 01, 2011 7:16 pm

1 Replies

2101 Views

Last post by support_vasp
Thu Sep 12, 2024 8:52 am
atomic spheres for LORBIT=10, 11, or 12

Last post by support_vasp « Thu Sep 12, 2024 8:52 am
Replies: 1
by alex1981 » Fri Sep 03, 2010 8:45 pm

1 Replies

1764 Views

Last post by support_vasp
Thu Sep 12, 2024 8:52 am
surface defects

Last post by support_vasp « Thu Sep 12, 2024 8:52 am
Replies: 1
by kiahadidi » Tue Apr 12, 2011 3:29 pm

1 Replies

1866 Views

Last post by support_vasp
Thu Sep 12, 2024 8:52 am
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

1447 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

2786 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

1679 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

1688 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

1612 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

1656 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

1483 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

2068 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

2093 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

1991 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

1757 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

1612 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

1240 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

3070 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

1716 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

1809 Views

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

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