Using VASP

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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

920 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

1377 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

1033 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

1291 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

1002 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

987 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

979 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

1360 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

1394 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

1085 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

1451 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

1143 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

1399 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

916 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

893 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

930 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

1469 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

937 Views

Last post by support_vasp
Thu Sep 12, 2024 7:06 am
Severe convergence problems with a frequencies calculation

Last post by support_vasp « Thu Sep 12, 2024 7:05 am
Replies: 1
by silviautpl » Sat Oct 06, 2012 3:52 pm

1 Replies

1110 Views

Last post by support_vasp
Thu Sep 12, 2024 7:05 am
one side relaxation of magnetic system - magnetic moments

Last post by support_vasp « Thu Sep 12, 2024 7:05 am
Replies: 1
by t.ossowski » Thu Sep 19, 2013 11:48 am

1 Replies

1116 Views

Last post by support_vasp
Thu Sep 12, 2024 7:05 am

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