Using VASP

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how to set ICHARG for band structure calculation when performing a HSE06 calculation

Last post by support_vasp « Thu Sep 12, 2024 7:25 am
Replies: 1
by icemoon » Mon Sep 23, 2013 3:28 pm

1 Replies

1237 Views

Last post by support_vasp
Thu Sep 12, 2024 7:25 am
Meaning of the LMODELHF = .TRUE. flag

Last post by support_vasp « Thu Sep 12, 2024 7:24 am
Replies: 1
by ahyla » Fri Aug 29, 2014 6:26 pm

1 Replies

1043 Views

Last post by support_vasp
Thu Sep 12, 2024 7:24 am
Optical Properties

Last post by support_vasp « Thu Sep 12, 2024 7:24 am
Replies: 1
by hpaudel » Fri Sep 20, 2013 6:22 pm

1 Replies

1195 Views

Last post by support_vasp
Thu Sep 12, 2024 7:24 am
DOS of G0W0 calculation

Last post by support_vasp « Thu Sep 12, 2024 7:24 am
Replies: 1
by suthirakuns » Fri Jun 28, 2013 12:18 pm

1 Replies

874 Views

Last post by support_vasp
Thu Sep 12, 2024 7:24 am
Drude term in the calculation of epsilon2

Last post by support_vasp « Thu Sep 12, 2024 7:24 am
Replies: 1
by giacomo giorgi » Fri Jan 10, 2014 11:30 am

1 Replies

1270 Views

Last post by support_vasp
Thu Sep 12, 2024 7:24 am
Broadening effect in optical spectrum

Last post by support_vasp « Thu Sep 12, 2024 7:24 am
Replies: 1
by jihang » Fri Aug 16, 2013 1:34 am

1 Replies

1122 Views

Last post by support_vasp
Thu Sep 12, 2024 7:24 am
PEAD approach when add finite electric field

Last post by support_vasp « Thu Sep 12, 2024 7:24 am
Replies: 1
by umklapp » Sat Oct 01, 2011 1:46 am

1 Replies

1450 Views

Last post by support_vasp
Thu Sep 12, 2024 7:24 am
COHP and COOP analysis from VASP

Last post by support_vasp « Thu Sep 12, 2024 7:24 am
Replies: 1
by R. Dronskowski » Fri Sep 20, 2013 5:50 pm

1 Replies

6343 Views

Last post by support_vasp
Thu Sep 12, 2024 7:24 am
Optical matrix elements

Last post by support_vasp « Thu Sep 12, 2024 7:23 am
Replies: 1
by kamalch » Tue Mar 12, 2013 6:33 am

1 Replies

958 Views

Last post by support_vasp
Thu Sep 12, 2024 7:23 am
How to do TD-DFT with VASP ?

Last post by support_vasp « Thu Sep 12, 2024 7:22 am
Replies: 1
by n.iacobel. » Fri Feb 26, 2016 4:15 pm

1 Replies

1493 Views

Last post by support_vasp
Thu Sep 12, 2024 7:22 am
About VDW_C6 and VDW_R0

Last post by support_vasp « Thu Sep 12, 2024 7:22 am
Replies: 1
by pswkd » Thu Sep 12, 2013 4:42 am

1 Replies

945 Views

Last post by support_vasp
Thu Sep 12, 2024 7:22 am
Huge energy oscillation in Molecular Anchoring process on a slab

Last post by support_vasp « Thu Sep 12, 2024 7:22 am
Replies: 1
by giacomo giorgi » Thu Jun 21, 2012 1:06 pm

1 Replies

1524 Views

Last post by support_vasp
Thu Sep 12, 2024 7:22 am
dipole matrix element in vasp

Last post by support_vasp « Thu Sep 12, 2024 7:22 am
Replies: 1
by hoya84 » Tue Mar 12, 2013 6:39 am

1 Replies

1062 Views

Last post by support_vasp
Thu Sep 12, 2024 7:22 am
How to calculate Temperature-dependent optical properties

Last post by support_vasp « Thu Sep 12, 2024 7:22 am
Replies: 1
by amosyang » Tue Mar 13, 2012 4:58 am

1 Replies

1041 Views

Last post by support_vasp
Thu Sep 12, 2024 7:22 am
what's new in the new potpaw_PBE5.2 ?

Last post by support_vasp « Thu Sep 12, 2024 7:21 am
Replies: 1
by JohnnyTsien » Thu Sep 27, 2012 5:47 am

1 Replies

848 Views

Last post by support_vasp
Thu Sep 12, 2024 7:21 am
How to calculate the projection of wave function between supercell and corresponding primitive cell

Last post by support_vasp « Thu Sep 12, 2024 7:21 am
Replies: 1
by xijinyang » Thu Nov 29, 2012 7:27 am

1 Replies

847 Views

Last post by support_vasp
Thu Sep 12, 2024 7:21 am
determination of MAGMOM for spin orbit coupling

Last post by support_vasp « Thu Sep 12, 2024 7:21 am
Replies: 1
by luke419 » Mon Feb 20, 2017 8:40 am

1 Replies

1827 Views

Last post by support_vasp
Thu Sep 12, 2024 7:21 am
NEB for an AFM system

Last post by support_vasp « Thu Sep 12, 2024 7:21 am
Replies: 1
by Antcl » Thu Jan 28, 2016 5:54 pm

1 Replies

1210 Views

Last post by support_vasp
Thu Sep 12, 2024 7:21 am
2D system ISIF setting

Last post by support_vasp « Thu Sep 12, 2024 7:21 am
Replies: 1
by mimisee » Sun Aug 11, 2013 10:39 am

1 Replies

1101 Views

Last post by support_vasp
Thu Sep 12, 2024 7:21 am
How to calculate the dielectric function for metal using VAS

Last post by support_vasp « Thu Sep 12, 2024 7:21 am
Replies: 1
by plasmon » Fri Feb 26, 2016 10:25 am

1 Replies

1490 Views

Last post by support_vasp
Thu Sep 12, 2024 7:21 am

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