Using VASP

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How to calulcate the bandstructure for nanowires

Last post by tjf « Wed Jan 03, 2007 7:55 am
Replies: 4
by sagar5284 » Mon Aug 14, 2006 4:03 pm

4 Replies

4160 Views

Last post by tjf
Wed Jan 03, 2007 7:55 am
Band level filling has no sharp cut-off at Fermi energy !?

Last post by simly « Thu Dec 28, 2006 1:12 am
Replies: 2
by lahaye » Tue Nov 28, 2006 11:08 am

2 Replies

3249 Views

Last post by simly
Thu Dec 28, 2006 1:12 am
Step function

Last post by tjf « Thu Dec 28, 2006 12:58 am
Replies: 2
by mff7d » Thu Dec 21, 2006 8:39 pm

2 Replies

2989 Views

Last post by tjf
Thu Dec 28, 2006 12:58 am
external electric field

Last post by admin « Wed Dec 27, 2006 2:09 pm
Replies: 1
by gutk » Tue Dec 26, 2006 1:31 am

1 Replies

2842 Views

Last post by admin
Wed Dec 27, 2006 2:09 pm
work function and fermi energy

Last post by admin « Wed Dec 27, 2006 1:59 pm
Replies: 3
by simly » Wed Dec 20, 2006 3:28 am

3 Replies

4811 Views

Last post by admin
Wed Dec 27, 2006 1:59 pm
I don't understand Non-Collinear results

Last post by admin « Wed Dec 27, 2006 1:54 pm
Replies: 1
by lahaye » Fri Dec 22, 2006 10:53 am

1 Replies

3232 Views

Last post by admin
Wed Dec 27, 2006 1:54 pm
Units of magnetic moment on CHG file

Last post by admin « Wed Dec 27, 2006 1:42 pm
Replies: 1
by salva » Tue Dec 26, 2006 6:46 pm

1 Replies

3676 Views

Last post by admin
Wed Dec 27, 2006 1:42 pm
about CHGCAR file for the ISPIN=2 self-consistent static calculation ?

Last post by admin « Wed Dec 27, 2006 1:05 pm
Replies: 1
by vasp-newer » Wed Dec 27, 2006 5:02 am

1 Replies

3885 Views

Last post by admin
Wed Dec 27, 2006 1:05 pm
how to access to the vibrational frequency in the OUTCAR file

Last post by mramirez « Fri Dec 22, 2006 1:51 am
Replies: 4
by ouarda » Tue Nov 14, 2006 3:46 pm

4 Replies

5464 Views

Last post by mramirez
Fri Dec 22, 2006 1:51 am
Visiluazation of charge density with Matlab

Last post by graeme « Thu Dec 21, 2006 5:33 am
Replies: 2
by ouarda » Wed Dec 06, 2006 2:36 pm

2 Replies

4361 Views

Last post by graeme
Thu Dec 21, 2006 5:33 am
Platinum(111) surface. total energy calculation

Last post by neogien « Wed Dec 20, 2006 3:37 am
Replies: 2
by neogien » Thu Dec 14, 2006 2:30 pm

2 Replies

3558 Views

Last post by neogien
Wed Dec 20, 2006 3:37 am
GGA and VOSKOWN

Last post by danielk « Tue Dec 19, 2006 4:50 pm
Replies: 2
by danielk » Fri Dec 15, 2006 11:21 pm

2 Replies

3882 Views

Last post by danielk
Tue Dec 19, 2006 4:50 pm
Relaxation

Last post by admin « Tue Dec 19, 2006 3:17 pm
Replies: 1
by pmignon » Tue Dec 19, 2006 2:11 pm

1 Replies

3048 Views

Last post by admin
Tue Dec 19, 2006 3:17 pm
Geometry Relaxation

Last post by admin « Tue Dec 19, 2006 2:35 pm
Replies: 1
by pmignon » Tue Dec 19, 2006 10:22 am

1 Replies

3575 Views

Last post by admin
Tue Dec 19, 2006 2:35 pm
Testing POTIM for structure relaxation

Last post by admin « Mon Dec 18, 2006 3:46 pm
Replies: 1
by TomÃ¡s » Mon Dec 18, 2006 2:30 pm

1 Replies

3672 Views

Last post by admin
Mon Dec 18, 2006 3:46 pm
relaxation of structure EDIFFG!!!!!!!

Last post by tjf « Thu Dec 14, 2006 9:55 am
Replies: 6
by ouarda » Mon Dec 11, 2006 3:29 pm

6 Replies

5621 Views

Last post by tjf
Thu Dec 14, 2006 9:55 am
Is it necessary to switch off the symmetry when using spin-orbit coupling?

Last post by admin « Thu Dec 14, 2006 8:17 am
Replies: 1
by xianghjun » Wed Dec 13, 2006 2:48 pm

1 Replies

2791 Views

Last post by admin
Thu Dec 14, 2006 8:17 am
Platinum surface relaxation ( what is the suitable ISIF value?)

Last post by admin « Wed Dec 13, 2006 1:14 pm
Replies: 1
by neogien » Wed Dec 13, 2006 6:35 am

1 Replies

3842 Views

Last post by admin
Wed Dec 13, 2006 1:14 pm
Different total energy when running parallel version

Last post by admin « Tue Dec 12, 2006 2:01 pm
Replies: 4
by slaubach » Tue Dec 05, 2006 9:17 am

4 Replies

4205 Views

Last post by admin
Tue Dec 12, 2006 2:01 pm
cohesive energy

Last post by admin « Mon Dec 11, 2006 2:05 pm
Replies: 1
by windintone » Fri Dec 08, 2006 7:30 am

1 Replies

3441 Views

Last post by admin
Mon Dec 11, 2006 2:05 pm

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