Using VASP

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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

1037 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

954 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

828 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

1281 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

964 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

1199 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

930 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

911 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

911 Views

Last post by support_vasp
Thu Sep 12, 2024 7:07 am
Band dispersion with SOC

Last post by support_vasp « Thu Sep 12, 2024 7:07 am
Replies: 1
by swarup123 » Thu Jan 26, 2012 2:24 pm

1 Replies

1266 Views

Last post by support_vasp
Thu Sep 12, 2024 7:07 am
LOPTICS and spin orbit coupling (soc)

Last post by support_vasp « Thu Sep 12, 2024 7:07 am
Replies: 1
by hatdau » Fri Jun 29, 2012 8:00 pm

1 Replies

1281 Views

Last post by support_vasp
Thu Sep 12, 2024 7:07 am
How can I get electronic contribution in Static dielectric constants ?

Last post by support_vasp « Thu Sep 12, 2024 7:07 am
Replies: 1
by rksb_physics » Wed Sep 18, 2013 1:34 pm

1 Replies

1003 Views

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

Last post by support_vasp « Thu Sep 12, 2024 7:07 am
Replies: 1
by hpaudel » Wed Sep 18, 2013 11:04 pm

1 Replies

1381 Views

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

Last post by support_vasp « Thu Sep 12, 2024 7:07 am
Replies: 1
by kmkumar » Wed Oct 03, 2012 3:31 pm

1 Replies

1053 Views

Last post by support_vasp
Thu Sep 12, 2024 7:07 am
Electric field on WS2 monolayer and bilayer

Last post by support_vasp « Thu Sep 12, 2024 7:06 am
Replies: 1
by blessing1223 » Thu Aug 28, 2014 1:51 am

1 Replies

1304 Views

Last post by support_vasp
Thu Sep 12, 2024 7:06 am
how to specify van der Waals params for a specific element??

Last post by support_vasp « Thu Sep 12, 2024 7:06 am
Replies: 1
by jjhskang » Mon Dec 10, 2012 3:55 am

1 Replies

851 Views

Last post by support_vasp
Thu Sep 12, 2024 7:06 am
POSCAR file

Last post by support_vasp « Thu Sep 12, 2024 7:06 am
Replies: 1
by sabbah » Thu Aug 15, 2013 9:37 am

1 Replies

798 Views

Last post by support_vasp
Thu Sep 12, 2024 7:06 am
Accuracy of LOPTICS at low energies

Last post by support_vasp « Thu Sep 12, 2024 7:06 am
Replies: 1
by hachteja » Fri Aug 16, 2013 12:28 am

1 Replies

857 Views

Last post by support_vasp
Thu Sep 12, 2024 7:06 am
HSE06 convergence

Last post by support_vasp « Thu Sep 12, 2024 7:06 am
Replies: 1
by rafaelbna » Tue May 08, 2012 1:45 pm

1 Replies

1363 Views

Last post by support_vasp
Thu Sep 12, 2024 7:06 am
design a suppercell containing a dislocation

Last post by support_vasp « Thu Sep 12, 2024 7:06 am
Replies: 1
by wjfriend » Fri Dec 07, 2012 7:33 pm

1 Replies

842 Views

Last post by support_vasp
Thu Sep 12, 2024 7:06 am

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