Using VASP

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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

9727 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

2802 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

3402 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

2822 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

3742 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

3222 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

2981 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

2682 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

2756 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

4146 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

3111 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

3276 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

3626 Views

Last post by support_vasp
Thu Sep 12, 2024 7:21 am
piezoelectric "d" coefficient by DFPT

Last post by support_vasp « Thu Sep 12, 2024 7:20 am
Replies: 1
by okuno » Mon Feb 15, 2016 11:40 am

1 Replies

3807 Views

Last post by support_vasp
Thu Sep 12, 2024 7:20 am
Spilling of Charge in spin polarized calculations

Last post by support_vasp « Thu Sep 12, 2024 7:20 am
Replies: 1
by pankajsahota » Tue Feb 09, 2016 10:57 pm

1 Replies

3031 Views

Last post by support_vasp
Thu Sep 12, 2024 7:20 am
LDIPOL with GW0

Last post by support_vasp « Thu Sep 12, 2024 7:20 am
Replies: 1
by askhetan » Mon Feb 08, 2016 6:04 pm

1 Replies

3406 Views

Last post by support_vasp
Thu Sep 12, 2024 7:20 am
OPTIC file

Last post by support_vasp « Thu Sep 12, 2024 7:20 am
Replies: 1
by chandrima » Wed Sep 21, 2011 6:00 am

1 Replies

3029 Views

Last post by support_vasp
Thu Sep 12, 2024 7:20 am
detail about copies of cells before PBC enforced

Last post by support_vasp « Thu Sep 12, 2024 7:20 am
Replies: 1
by vasp_user » Mon Oct 28, 2013 10:01 am

1 Replies

3126 Views

Last post by support_vasp
Thu Sep 12, 2024 7:20 am
Constraining the direction of magnetic moments

Last post by support_vasp « Thu Sep 12, 2024 7:20 am
Replies: 1
by hnam9 » Sat Mar 01, 2014 1:22 am

1 Replies

3061 Views

Last post by support_vasp
Thu Sep 12, 2024 7:20 am
parities of wavefunctions

Last post by support_vasp « Thu Sep 12, 2024 7:19 am
Replies: 1
by ranjit.phy » Thu Jun 19, 2014 1:14 pm

1 Replies

2970 Views

Last post by support_vasp
Thu Sep 12, 2024 7:19 am

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