Using VASP

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INCAR file for tddft using vasp 5.2??

Last post by metosa « Fri Nov 12, 2010 8:12 pm
Replies: 1
by jjhskang » Fri Nov 12, 2010 2:54 am

1 Replies

4235 Views

Last post by metosa
Fri Nov 12, 2010 8:12 pm
How to define POSCAR file for Defects !

Last post by mm05b028 « Thu Nov 11, 2010 4:00 pm
Replies: 2
by mm05b028 » Wed Nov 10, 2010 3:24 pm

2 Replies

4504 Views

Last post by mm05b028
Thu Nov 11, 2010 4:00 pm
VBM problem

Last post by bruent « Tue Nov 09, 2010 4:06 am
Replies: 2
by bruent » Mon Nov 08, 2010 9:19 am

2 Replies

3470 Views

Last post by bruent
Tue Nov 09, 2010 4:06 am
optical properties calculation

Last post by zhu « Fri Nov 05, 2010 1:09 am
Replies: 2
by zhu » Tue Nov 02, 2010 1:49 am

2 Replies

4022 Views

Last post by zhu
Fri Nov 05, 2010 1:09 am
Calculation of Pressure at high temperature

Last post by Relax « Thu Nov 04, 2010 1:49 pm
Replies: 1
by mjoshi » Tue Feb 27, 2007 10:33 am

1 Replies

3160 Views

Last post by Relax
Thu Nov 04, 2010 1:49 pm
Vasp can simulate adsorption isotherm for molecules adsorption on zeolites?

Last post by admin « Thu Nov 04, 2010 12:37 pm
Replies: 1
by cenwanglai » Thu Nov 04, 2010 2:15 am

1 Replies

3608 Views

Last post by admin
Thu Nov 04, 2010 12:37 pm
How to calculate binding energy

Last post by admin « Thu Nov 04, 2010 12:32 pm
Replies: 1
by srinubarc » Tue Oct 05, 2010 8:34 am

1 Replies

5148 Views

Last post by admin
Thu Nov 04, 2010 12:32 pm
How to improve the accurancy for IBRION = 8 calculations

Last post by admin « Wed Nov 03, 2010 10:35 am
Replies: 1
by hongjw » Thu Oct 28, 2010 2:31 pm

1 Replies

3743 Views

Last post by admin
Wed Nov 03, 2010 10:35 am
Partially strained cell

Last post by admin « Wed Nov 03, 2010 9:59 am
Replies: 1
by magal » Sat Oct 30, 2010 12:22 pm

1 Replies

2835 Views

Last post by admin
Wed Nov 03, 2010 9:59 am
PBE calculations

Last post by apple « Tue Nov 02, 2010 11:19 pm
Replies: 2
by apple » Tue Nov 02, 2010 4:16 pm

2 Replies

3918 Views

Last post by apple
Tue Nov 02, 2010 11:19 pm
HSE band structure

Last post by dhfphysics « Sat Oct 30, 2010 6:51 am
Replies: 2
by ashwin » Mon Dec 21, 2009 9:25 pm

2 Replies

6404 Views

Last post by dhfphysics
Sat Oct 30, 2010 6:51 am
Time taken for scf cycle

Last post by admin « Fri Oct 29, 2010 12:55 pm
Replies: 1
by neo » Thu Sep 30, 2010 4:03 am

1 Replies

3222 Views

Last post by admin
Fri Oct 29, 2010 12:55 pm
POSCAR for layered structures in VASP : different lattice parameters in the same POSCAR?

Last post by admin « Fri Oct 29, 2010 12:29 pm
Replies: 2
by cja » Thu Oct 28, 2010 9:41 am

2 Replies

4984 Views

Last post by admin
Fri Oct 29, 2010 12:29 pm
Single atom transition metal energy...

Last post by admin « Fri Oct 29, 2010 12:23 pm
Replies: 1
by pdalach » Thu Oct 28, 2010 3:24 pm

1 Replies

4969 Views

Last post by admin
Fri Oct 29, 2010 12:23 pm
Adsorption on a semiconductor surface

Last post by admin « Fri Oct 29, 2010 11:57 am
Replies: 1
by kambiz » Mon Oct 18, 2010 4:40 am

1 Replies

3557 Views

Last post by admin
Fri Oct 29, 2010 11:57 am
Fermi surface plot by PROCAR file?

Last post by admin « Fri Oct 29, 2010 11:46 am
Replies: 1
by riche » Mon Oct 18, 2010 6:11 pm

1 Replies

4034 Views

Last post by admin
Fri Oct 29, 2010 11:46 am
Density of empty states sensitive to NBANDS parameter

Last post by forsdan « Thu Oct 28, 2010 5:45 pm
Replies: 3
by ye » Tue Oct 19, 2010 9:16 pm

3 Replies

4637 Views

Last post by forsdan
Thu Oct 28, 2010 5:45 pm
POSCAR file for truncated octahedron

Last post by AB « Wed Oct 27, 2010 1:19 pm
Replies: 2
by AB » Wed Oct 27, 2010 8:39 am

2 Replies

4013 Views

Last post by AB
Wed Oct 27, 2010 1:19 pm
How to calculate DOS for Molecule??

Last post by alex « Mon Oct 25, 2010 2:11 pm
Replies: 1
by mharis » Mon Oct 25, 2010 1:19 pm

1 Replies

3455 Views

Last post by alex
Mon Oct 25, 2010 2:11 pm
WAVECAR file

Last post by forsdan « Mon Oct 25, 2010 11:51 am
Replies: 1
by neo » Mon Oct 25, 2010 11:42 am

1 Replies

2960 Views

Last post by forsdan
Mon Oct 25, 2010 11:51 am

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