Using VASP

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Post-processing of metadynamics and constrained dynamics

Last post by support_vasp « Thu Sep 12, 2024 7:10 am
Replies: 1
by kmdwispe » Thu May 03, 2012 1:59 pm

1 Replies

1269 Views

Last post by support_vasp
Thu Sep 12, 2024 7:10 am
orthogonality of wave functions - PAW

Last post by support_vasp « Thu Sep 12, 2024 7:10 am
Replies: 1
by myronk » Wed Jun 27, 2012 7:06 am

1 Replies

1643 Views

Last post by support_vasp
Thu Sep 12, 2024 7:10 am
Electronic Structure and Geometric optimization...

Last post by support_vasp « Thu Sep 12, 2024 7:10 am
Replies: 1
by rezorva » Tue Jan 24, 2012 6:24 pm

1 Replies

1248 Views

Last post by support_vasp
Thu Sep 12, 2024 7:10 am
minority and majority density of states

Last post by support_vasp « Thu Sep 12, 2024 7:10 am
Replies: 1
by Julia » Fri Feb 01, 2013 4:01 pm

1 Replies

1232 Views

Last post by support_vasp
Thu Sep 12, 2024 7:10 am
Ignoring vdw interactions between specific atoms in relaxation

Last post by support_vasp « Thu Sep 12, 2024 7:10 am
Replies: 1
by ido » Fri Sep 20, 2013 12:04 pm

1 Replies

1053 Views

Last post by support_vasp
Thu Sep 12, 2024 7:10 am
exit code 15 in DFT+U ???

Last post by support_vasp « Thu Sep 12, 2024 7:09 am
Replies: 1
by ccccc » Mon Jun 24, 2013 12:08 pm

1 Replies

1221 Views

Last post by support_vasp
Thu Sep 12, 2024 7:09 am
I have question about ZVAL

Last post by support_vasp « Thu Sep 12, 2024 7:09 am
Replies: 1
by dies12345678 » Tue Jan 07, 2014 4:19 am

1 Replies

1510 Views

Last post by support_vasp
Thu Sep 12, 2024 7:09 am
optical spectroscopy

Last post by support_vasp « Thu Sep 12, 2024 7:09 am
Replies: 1
by tan » Thu Jun 26, 2014 2:25 am

1 Replies

1037 Views

Last post by support_vasp
Thu Sep 12, 2024 7:09 am
MBJLDA Band Structure

Last post by support_vasp « Thu Sep 12, 2024 7:09 am
Replies: 1
by sagarinphysics » Thu Oct 30, 2014 3:05 pm

1 Replies

2338 Views

Last post by support_vasp
Thu Sep 12, 2024 7:09 am
unit in WAVECAR

Last post by support_vasp « Thu Sep 12, 2024 7:09 am
Replies: 1
by jyang » Thu Aug 15, 2013 12:27 am

1 Replies

1027 Views

Last post by support_vasp
Thu Sep 12, 2024 7:09 am
how to calculate magnetic anisotropy

Last post by support_vasp « Thu Sep 12, 2024 7:09 am
Replies: 1
by chelman » Fri Feb 01, 2013 9:12 pm

1 Replies

1608 Views

Last post by support_vasp
Thu Sep 12, 2024 7:09 am
No OPTIC file generated

Last post by support_vasp « Thu Sep 12, 2024 7:09 am
Replies: 1
by suxinghu » Mon Jun 24, 2013 8:53 pm

1 Replies

1189 Views

Last post by support_vasp
Thu Sep 12, 2024 7:09 am
The pseudopotentials for Cu, Ag and Au

Last post by support_vasp « Thu Sep 12, 2024 7:08 am
Replies: 1
by lgxyz » Tue Sep 17, 2013 4:24 pm

1 Replies

1143 Views

Last post by support_vasp
Thu Sep 12, 2024 7:08 am
Band-by-band Decompositions of the Born Effective Charges

Last post by support_vasp « Thu Sep 12, 2024 7:08 am
Replies: 1
by yimaverickxia » Mon Jun 24, 2013 9:32 pm

1 Replies

1001 Views

Last post by support_vasp
Thu Sep 12, 2024 7:08 am
How to get the cartesian coordinates of atoms using vasprun.xml file?

Last post by support_vasp « Thu Sep 12, 2024 7:08 am
Replies: 1
by bandri » Fri Aug 22, 2014 3:28 pm

1 Replies

1459 Views

Last post by support_vasp
Thu Sep 12, 2024 7:08 am
Frame of reference for the l,m-decomposed DOS data.

Last post by support_vasp « Thu Sep 12, 2024 7:08 am
Replies: 1
by camilo » Wed Sep 28, 2011 10:50 am

1 Replies

1120 Views

Last post by support_vasp
Thu Sep 12, 2024 7:08 am
IRREP

Last post by support_vasp « Thu Sep 12, 2024 7:08 am
Replies: 1
by sd » Wed Oct 03, 2012 8:45 am

1 Replies

1383 Views

Last post by support_vasp
Thu Sep 12, 2024 7:08 am
GW pseudo potentials are both used for step #1(DFT) and #2(GW) calculation?

Last post by support_vasp « Thu Sep 12, 2024 7:08 am
Replies: 1
by Xueping Jiang » Wed Dec 05, 2012 11:31 pm

1 Replies

1094 Views

Last post by support_vasp
Thu Sep 12, 2024 7:08 am
Does CHGCAR include boundary values?

Last post by support_vasp « Thu Sep 12, 2024 7:08 am
Replies: 1
by nwan » Sun Feb 03, 2013 7:00 am

1 Replies

1062 Views

Last post by support_vasp
Thu Sep 12, 2024 7:08 am
self-consistent charge density with self-consistent GW?

Last post by support_vasp « Thu Sep 12, 2024 7:07 am
Replies: 1
by yargk » Tue Dec 03, 2013 12:40 am

1 Replies

1066 Views

Last post by support_vasp
Thu Sep 12, 2024 7:07 am

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