Using VASP

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conversion from cartesian in poscar to direct in contcar

Last post by support_vasp « Thu Sep 12, 2024 8:10 am
Replies: 1
by leostorm10 » Thu Apr 05, 2012 9:21 am

1 Replies

4293 Views

Last post by support_vasp
Thu Sep 12, 2024 8:10 am
Broken symmetry in PDOS

Last post by support_vasp « Thu Sep 12, 2024 8:10 am
Replies: 1
by hfruchtl » Wed Oct 26, 2011 1:37 pm

1 Replies

2531 Views

Last post by support_vasp
Thu Sep 12, 2024 8:10 am
Diploe correction

Last post by support_vasp « Thu Sep 12, 2024 8:10 am
Replies: 1
by kambiz » Thu Jun 07, 2012 7:33 am

1 Replies

2353 Views

Last post by support_vasp
Thu Sep 12, 2024 8:10 am
about the thermalsat

Last post by support_vasp « Thu Sep 12, 2024 8:10 am
Replies: 1
by Gu Chenjie » Thu Jun 16, 2011 6:00 am

1 Replies

2566 Views

Last post by support_vasp
Thu Sep 12, 2024 8:10 am
parity of wave function

Last post by support_vasp « Thu Sep 12, 2024 8:05 am
Replies: 1
by lamoen » Wed Jun 06, 2012 6:40 pm

1 Replies

2768 Views

Last post by support_vasp
Thu Sep 12, 2024 8:05 am
LOPTICS=true ISMEAR=-5/0

Last post by support_vasp « Thu Sep 12, 2024 8:04 am
Replies: 1
by giacomo giorgi » Wed Apr 04, 2012 5:50 am

1 Replies

2765 Views

Last post by support_vasp
Thu Sep 12, 2024 8:04 am
Optical spectrum of a metallic system

Last post by support_vasp « Thu Sep 12, 2024 8:04 am
Replies: 1
by hfruchtl » Fri Feb 17, 2012 7:59 pm

1 Replies

2596 Views

Last post by support_vasp
Thu Sep 12, 2024 8:04 am
IBAND tag for SPIN POLARIZED CALCULATIONS

Last post by support_vasp « Thu Sep 12, 2024 8:04 am
Replies: 1
by giacomo giorgi » Thu Jun 16, 2011 10:55 am

1 Replies

2705 Views

Last post by support_vasp
Thu Sep 12, 2024 8:04 am
HOMO-LUMO/Spin Gap

Last post by support_vasp « Thu Sep 12, 2024 8:04 am
Replies: 1
by gelemsso » Tue Jul 30, 2013 12:00 am

1 Replies

2537 Views

Last post by support_vasp
Thu Sep 12, 2024 8:04 am
Ionic contribution of dielectric constant

Last post by support_vasp « Thu Sep 12, 2024 8:03 am
Replies: 1
by odkhuu » Mon Jan 14, 2013 2:31 pm

1 Replies

2113 Views

Last post by support_vasp
Thu Sep 12, 2024 8:03 am
Normal mode analysis

Last post by support_vasp « Thu Sep 12, 2024 8:03 am
Replies: 1
by younes » Fri Nov 15, 2013 7:37 pm

1 Replies

2367 Views

Last post by support_vasp
Thu Sep 12, 2024 8:03 am
selfconsistent GW

Last post by support_vasp « Thu Sep 12, 2024 8:03 am
Replies: 1
by deep.phys08 » Wed May 28, 2014 8:11 pm

1 Replies

1967 Views

Last post by support_vasp
Thu Sep 12, 2024 8:03 am
pseudohydrogen having nuclear charges of +4/3 and +2/3

Last post by support_vasp « Thu Sep 12, 2024 8:03 am
Replies: 1
by cvz5048 » Thu May 30, 2013 6:47 pm

1 Replies

2322 Views

Last post by support_vasp
Thu Sep 12, 2024 8:03 am
BLYP functional

Last post by support_vasp « Thu Sep 12, 2024 8:03 am
Replies: 1
by plumy » Sat Dec 21, 2013 7:05 am

1 Replies

2171 Views

Last post by support_vasp
Thu Sep 12, 2024 8:03 am
Elastic constant calculations

Last post by support_vasp « Thu Sep 12, 2024 8:03 am
Replies: 1
by tanmoy » Mon Nov 18, 2013 1:12 am

1 Replies

2441 Views

Last post by support_vasp
Thu Sep 12, 2024 8:03 am
Regarding D2 and D3 corrections

Last post by support_vasp « Thu Sep 12, 2024 8:02 am
Replies: 1
by konda.physics@gmail.com » Sun Jun 01, 2014 5:04 pm

1 Replies

2479 Views

Last post by support_vasp
Thu Sep 12, 2024 8:02 am
What is the E_soc exactly mean in SOC output?

Last post by support_vasp « Thu Sep 12, 2024 8:02 am
Replies: 1
by pangr » Mon Nov 10, 2014 4:23 pm

1 Replies

2828 Views

Last post by support_vasp
Thu Sep 12, 2024 8:02 am
BSE absorption spectra

Last post by support_vasp « Thu Sep 12, 2024 8:02 am
Replies: 1
by 5-579 » Wed Jun 04, 2014 5:57 am

1 Replies

2187 Views

Last post by support_vasp
Thu Sep 12, 2024 8:02 am
Set ISMEAR = 1 or 0 for TiN TiC?

Last post by support_vasp « Thu Sep 12, 2024 8:02 am
Replies: 1
by jbliu » Tue Jun 03, 2014 1:16 am

1 Replies

2170 Views

Last post by support_vasp
Thu Sep 12, 2024 8:02 am
INCAR of F2 molecule

Last post by support_vasp « Thu Sep 12, 2024 8:01 am
Replies: 1
by nawwara » Mon Nov 18, 2013 4:35 pm

1 Replies

2283 Views

Last post by support_vasp
Thu Sep 12, 2024 8:01 am

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