Using VASP

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Pt(111) surface --- Oxygen molecule geometry optimization

Last post by support_vasp « Thu Sep 12, 2024 7:25 am
Replies: 2
by neogien » Wed Jan 03, 2007 4:29 am

2 Replies

4154 Views

Last post by support_vasp
Thu Sep 12, 2024 7:25 am
The problems about the structures in poscar when appling an external electric field.

Last post by support_vasp « Thu Sep 12, 2024 7:25 am
Replies: 1
by xinhuanwen » Sun Mar 24, 2013 11:14 am

1 Replies

1317 Views

Last post by support_vasp
Thu Sep 12, 2024 7:25 am
Dispersion corrected DFT calculation for molecules with Au atoms

Last post by support_vasp « Thu Sep 12, 2024 7:25 am
Replies: 1
by bhaskarchilukuri » Tue Jan 31, 2012 3:33 am

1 Replies

1297 Views

Last post by support_vasp
Thu Sep 12, 2024 7:25 am
self-consistent calculation with high cutoff not running !!

Last post by support_vasp « Thu Sep 12, 2024 7:25 am
Replies: 1
by rksb_physics » Tue Nov 18, 2014 10:13 am

1 Replies

1287 Views

Last post by support_vasp
Thu Sep 12, 2024 7:25 am
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

1374 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

1144 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

1300 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

1014 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

1390 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

1231 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

1562 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

6709 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

1089 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

1616 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

1075 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

1641 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

1165 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

1181 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

968 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

970 Views

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

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