Using VASP

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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

2848 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

4524 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

4544 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

3213 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

3763 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

4046 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

3691 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

3130 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

2648 Views

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

Last post by forsdan « Mon Oct 25, 2010 11:12 am
Replies: 2
by Imran » Sat Oct 23, 2010 8:58 pm

2 Replies

3368 Views

Last post by forsdan
Mon Oct 25, 2010 11:12 am
VASP running problem : rtc_invalidate error

Last post by forsdan « Sun Oct 24, 2010 10:06 am
Replies: 5
by prithwish » Sat Dec 19, 2009 6:39 am

5 Replies

5285 Views

Last post by forsdan
Sun Oct 24, 2010 10:06 am
about the weak interactions

Last post by forsdan « Wed Oct 20, 2010 10:58 am
Replies: 1
by lgxyz » Wed Oct 20, 2010 6:46 am

1 Replies

2872 Views

Last post by forsdan
Wed Oct 20, 2010 10:58 am
how to get mechanical constant

Last post by forsdan « Tue Oct 19, 2010 5:43 pm
Replies: 4
by dyc_2008 » Fri Oct 15, 2010 4:59 am

4 Replies

4423 Views

Last post by forsdan
Tue Oct 19, 2010 5:43 pm
Missing electrons if spd-site projected

Last post by forsdan « Tue Oct 19, 2010 5:30 pm
Replies: 2
by physicalattraction » Tue Oct 19, 2010 3:45 pm

2 Replies

4377 Views

Last post by forsdan
Tue Oct 19, 2010 5:30 pm
HSE calculations

Last post by apple « Tue Oct 19, 2010 3:23 pm
Replies: 4
by apple » Sat Oct 09, 2010 1:04 am

4 Replies

4812 Views

Last post by apple
Tue Oct 19, 2010 3:23 pm
how we can get information from OUTCAR

Last post by riche « Tue Oct 19, 2010 9:54 am
Replies: 1
by dyc_2008 » Tue Oct 12, 2010 11:51 am

1 Replies

2837 Views

Last post by riche
Tue Oct 19, 2010 9:54 am
Elastic constants for hex systems

Last post by riche « Tue Oct 19, 2010 9:41 am
Replies: 1
by ynwu » Fri Oct 15, 2010 4:46 am

1 Replies

3709 Views

Last post by riche
Tue Oct 19, 2010 9:41 am
CHG file

Last post by riche « Tue Oct 19, 2010 9:33 am
Replies: 3
by neo » Wed Oct 13, 2010 6:18 am

3 Replies

3702 Views

Last post by riche
Tue Oct 19, 2010 9:33 am
About the Fermi energy defined in VASP

Last post by tlchan « Sat Oct 16, 2010 6:17 pm
Replies: 2
by pengx » Fri Oct 15, 2010 5:34 am

2 Replies

12487 Views

Last post by tlchan
Sat Oct 16, 2010 6:17 pm
total energy calculation

Last post by forsdan « Wed Oct 13, 2010 2:55 pm
Replies: 1
by gevolo » Wed Oct 13, 2010 10:15 am

1 Replies

2720 Views

Last post by forsdan
Wed Oct 13, 2010 2:55 pm

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