Using VASP

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caculate work-function of cnt(carbon nanotube) need dipole correction?

Last post by admin « Tue Jan 09, 2007 3:57 pm
Replies: 1
by baoailin » Tue Jan 09, 2007 12:35 pm

1 Replies

5980 Views

Last post by admin
Tue Jan 09, 2007 3:57 pm
How could I get the orbital occupation information?

Last post by admin « Mon Jan 08, 2007 1:32 pm
Replies: 1
by sondon » Sat Jan 06, 2007 12:13 pm

1 Replies

6488 Views

Last post by admin
Mon Jan 08, 2007 1:32 pm
Question on STM image calculation

Last post by admin « Mon Jan 08, 2007 1:12 pm
Replies: 3
by jjhskang » Sat Dec 30, 2006 2:30 am

3 Replies

9713 Views

Last post by admin
Mon Jan 08, 2007 1:12 pm
Output Steps

Last post by admin « Thu Jan 04, 2007 3:47 pm
Replies: 4
by shellingford » Tue Dec 26, 2006 6:44 pm

4 Replies

9923 Views

Last post by admin
Thu Jan 04, 2007 3:47 pm
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

8948 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

6771 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

6585 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

5725 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

9186 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

7367 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

6668 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

7105 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

10670 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

8227 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

7486 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

7721 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

6027 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

7102 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

6910 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

13805 Views

Last post by tjf
Thu Dec 14, 2006 9:55 am

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