Using VASP

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Optimization and energy calculation of a charged diatomic molecule.

Last post by support_vasp « Wed Sep 11, 2024 1:29 pm
Replies: 1
by Sharani » Thu Oct 12, 2006 4:42 pm

1 Replies

2750 Views

Last post by support_vasp
Wed Sep 11, 2024 1:29 pm
L(S)DA+U

Last post by support_vasp « Wed Sep 11, 2024 1:29 pm
Replies: 1
by atreyee » Thu Jan 11, 2007 8:01 am

1 Replies

2192 Views

Last post by support_vasp
Wed Sep 11, 2024 1:29 pm
How to calculate plasma frequency.

Last post by support_vasp « Wed Sep 11, 2024 1:29 pm
Replies: 1
by Jiaye Li » Thu Jan 11, 2007 12:35 pm

1 Replies

2705 Views

Last post by support_vasp
Wed Sep 11, 2024 1:29 pm
project DOS onto general states

Last post by support_vasp « Wed Sep 11, 2024 1:29 pm
Replies: 1
by lorenz » Wed Oct 11, 2006 2:27 pm

1 Replies

2703 Views

Last post by support_vasp
Wed Sep 11, 2024 1:29 pm
VACF and vibrationa power spectrum

Last post by support_vasp « Wed Sep 11, 2024 1:29 pm
Replies: 1
by jcarrasco » Tue Oct 03, 2006 7:07 pm

1 Replies

2725 Views

Last post by support_vasp
Wed Sep 11, 2024 1:29 pm
Parsing of augmentation charges on CHGCAR file

Last post by support_vasp « Wed Sep 11, 2024 1:28 pm
Replies: 1
by salva » Fri Jan 05, 2007 4:16 pm

1 Replies

2341 Views

Last post by support_vasp
Wed Sep 11, 2024 1:28 pm
script for energy loss near edge structure in eels

Last post by support_vasp « Wed Sep 11, 2024 1:28 pm
Replies: 1
by yangmino » Tue Jan 02, 2007 1:51 pm

1 Replies

2783 Views

Last post by support_vasp
Wed Sep 11, 2024 1:28 pm
MEPs calculations with NEB

Last post by support_vasp « Wed Sep 11, 2024 1:28 pm
Replies: 1
by dwyuan » Sun Jun 04, 2006 5:43 am

1 Replies

2921 Views

Last post by support_vasp
Wed Sep 11, 2024 1:28 pm
U and J parameters in LDA+U

Last post by support_vasp « Wed Sep 11, 2024 1:28 pm
Replies: 1
by pankajnerikar » Thu Jul 20, 2006 2:20 pm

1 Replies

2784 Views

Last post by support_vasp
Wed Sep 11, 2024 1:28 pm
Calculation of S^2...

Last post by support_vasp « Wed Sep 11, 2024 1:28 pm
Replies: 1
by jlrch » Wed Oct 12, 2005 10:05 am

1 Replies

4383 Views

Last post by support_vasp
Wed Sep 11, 2024 1:28 pm
Negatively charged slab adsorbate system - is it a problem?

Last post by support_vasp « Wed Sep 11, 2024 1:28 pm
Replies: 1
by kp » Sun May 21, 2006 11:06 pm

1 Replies

3279 Views

Last post by support_vasp
Wed Sep 11, 2024 1:28 pm
DFT Accuracy for Adsorption Energies

Last post by support_vasp « Wed Sep 11, 2024 1:27 pm
Replies: 1
by grassman » Thu Jul 06, 2006 9:58 pm

1 Replies

2880 Views

Last post by support_vasp
Wed Sep 11, 2024 1:27 pm
spin-orbit coupling

Last post by support_vasp « Wed Sep 11, 2024 1:27 pm
Replies: 1
by brsahu » Fri Feb 24, 2006 7:13 pm

1 Replies

4128 Views

Last post by support_vasp
Wed Sep 11, 2024 1:27 pm
Charged Defects

Last post by support_vasp « Wed Sep 11, 2024 1:27 pm
Replies: 1
by user » Wed Feb 22, 2006 7:45 pm

1 Replies

3887 Views

Last post by support_vasp
Wed Sep 11, 2024 1:27 pm
COOP's

Last post by support_vasp « Wed Sep 11, 2024 1:27 pm
Replies: 1
by Maria-Elena.Grillo » Tue Aug 22, 2006 8:02 am

1 Replies

2859 Views

Last post by support_vasp
Wed Sep 11, 2024 1:27 pm
QCUT, ENMAX, ENCUT

Last post by support_vasp « Wed Sep 11, 2024 1:27 pm
Replies: 1
by bandy » Tue Aug 22, 2006 1:09 am

1 Replies

3234 Views

Last post by support_vasp
Wed Sep 11, 2024 1:27 pm
soft and total charge density in OUTCAR

Last post by support_vasp « Wed Sep 11, 2024 1:27 pm
Replies: 1
by bandy » Tue May 02, 2006 9:02 pm

1 Replies

3498 Views

Last post by support_vasp
Wed Sep 11, 2024 1:27 pm
obtain the wavefunction from vasp

Last post by support_vasp « Wed Sep 11, 2024 1:27 pm
Replies: 1
by yita » Wed Apr 26, 2006 7:13 pm

1 Replies

3189 Views

Last post by support_vasp
Wed Sep 11, 2024 1:27 pm
The blunders in the modern physics

Last post by support_vasp « Wed Sep 11, 2024 1:26 pm
Replies: 1
by heller » Thu Jun 15, 2006 3:39 pm

1 Replies

2766 Views

Last post by support_vasp
Wed Sep 11, 2024 1:26 pm
Energies at different T

Last post by support_vasp « Wed Sep 11, 2024 1:26 pm
Replies: 1
by quaestor » Mon Oct 02, 2006 5:24 pm

1 Replies

3279 Views

Last post by support_vasp
Wed Sep 11, 2024 1:26 pm

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