Using VASP

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Zero point energy

Last post by admin « Wed May 02, 2007 12:07 pm
Replies: 2
by againsmile » Sat Apr 21, 2007 2:08 am

2 Replies

7872 Views

Last post by admin
Wed May 02, 2007 12:07 pm
...band structure problem...

Last post by admin « Wed May 02, 2007 11:56 am
Replies: 3
by brocks » Sat Mar 10, 2007 5:58 pm

3 Replies

8927 Views

Last post by admin
Wed May 02, 2007 11:56 am
about PSMAXN for supercell calculation

Last post by admin « Wed May 02, 2007 11:40 am
Replies: 1
by xffan » Wed May 02, 2007 8:34 am

1 Replies

8822 Views

Last post by admin
Wed May 02, 2007 11:40 am
Doubts about total drift

Last post by admin « Wed May 02, 2007 9:29 am
Replies: 1
by alberto.trj » Fri Apr 27, 2007 6:38 pm

1 Replies

5318 Views

Last post by admin
Wed May 02, 2007 9:29 am
vibration calculations

Last post by admin « Mon Apr 30, 2007 9:37 am
Replies: 1
by mff7d » Fri Apr 27, 2007 5:31 pm

1 Replies

5759 Views

Last post by admin
Mon Apr 30, 2007 9:37 am
Fermi energy and work function

Last post by lcyin « Thu Apr 26, 2007 7:11 am
Replies: 5
by user » Sat Apr 14, 2007 4:52 pm

5 Replies

14371 Views

Last post by lcyin
Thu Apr 26, 2007 7:11 am
Molecular orbitals?

Last post by lcyin « Wed Apr 25, 2007 11:32 am
Replies: 1
by palulit » Sun Apr 15, 2007 1:51 pm

1 Replies

4930 Views

Last post by lcyin
Wed Apr 25, 2007 11:32 am
USPEX â€“ Crystal structure prediction is now possible

Last post by mphilipp « Tue Apr 24, 2007 6:23 am

by mphilipp » Tue Apr 24, 2007 6:23 am

0 Replies

4297 Views

Last post by mphilipp
Tue Apr 24, 2007 6:23 am
does band paralelisation (NPAR>1) work for IALGO=38?

Last post by admin « Fri Apr 20, 2007 2:02 pm
Replies: 1
by rgc » Mon Apr 02, 2007 10:54 am

1 Replies

4823 Views

Last post by admin
Fri Apr 20, 2007 2:02 pm
LDOS

Last post by admin « Mon Apr 16, 2007 12:32 pm
Replies: 1
by castro » Thu Apr 12, 2007 5:45 pm

1 Replies

5261 Views

Last post by admin
Mon Apr 16, 2007 12:32 pm
elastic constants c11, c22 and c44

Last post by forsdan « Mon Apr 16, 2007 6:05 am
Replies: 1
by mann » Mon Apr 16, 2007 5:48 am

1 Replies

5998 Views

Last post by forsdan
Mon Apr 16, 2007 6:05 am
reference energy

Last post by user « Sat Apr 14, 2007 4:41 pm
Replies: 1
by bentmann » Sat Apr 14, 2007 4:19 am

1 Replies

4996 Views

Last post by user
Sat Apr 14, 2007 4:41 pm
How to set up Pseudo hydrogen for polar semiconductor surface slab

Last post by vasp « Wed Apr 11, 2007 7:00 am
Replies: 2
by mqtan » Sat Apr 07, 2007 12:11 am

2 Replies

6326 Views

Last post by vasp
Wed Apr 11, 2007 7:00 am
how to calculate d-band center with DOS calculation?

Last post by lanjh « Wed Apr 11, 2007 1:40 am
Replies: 2
by lanjh » Tue Apr 10, 2007 5:53 am

2 Replies

6365 Views

Last post by lanjh
Wed Apr 11, 2007 1:40 am
NELECT and non-self consistent steps

Last post by admin « Tue Apr 10, 2007 1:58 pm
Replies: 4
by salva » Tue Mar 20, 2007 11:05 pm

4 Replies

7889 Views

Last post by admin
Tue Apr 10, 2007 1:58 pm
Slow convergence

Last post by forsdan « Mon Apr 09, 2007 12:51 pm
Replies: 4
by forsdan » Wed Nov 08, 2006 9:54 am

4 Replies

10626 Views

Last post by forsdan
Mon Apr 09, 2007 12:51 pm
how to fix the movement of two atoms in an arbitrary direction?

Last post by admin « Fri Apr 06, 2007 9:55 am

by admin » Fri Apr 06, 2007 9:55 am

0 Replies

4004 Views

Last post by admin
Fri Apr 06, 2007 9:55 am
..applying gate voltage by electric field...

Last post by admin « Tue Apr 03, 2007 1:02 pm
Replies: 1
by brocks » Mon Apr 02, 2007 10:53 am

1 Replies

6463 Views

Last post by admin
Tue Apr 03, 2007 1:02 pm
"Noise" in the density of states

Last post by admin « Tue Apr 03, 2007 12:57 pm
Replies: 3
by user » Mon Apr 02, 2007 5:55 am

3 Replies

6913 Views

Last post by admin
Tue Apr 03, 2007 12:57 pm
How to change the charge on impurities

Last post by admin « Mon Apr 02, 2007 8:29 am
Replies: 1
by MDrizzle » Sat Mar 31, 2007 4:40 pm

1 Replies

4746 Views

Last post by admin
Mon Apr 02, 2007 8:29 am

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