Using VASP

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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

2249 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

2482 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

3523 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

2599 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

3396 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

3230 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

3609 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

5762 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

2006 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

3551 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

3131 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

2265 Views

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

Last post by admin « Fri Mar 30, 2007 1:36 pm
Replies: 3
by tgakic » Wed Jan 18, 2006 9:55 am

3 Replies

3257 Views

Last post by admin
Fri Mar 30, 2007 1:36 pm
vasp is not doing anythin....

Last post by admin « Thu Mar 29, 2007 9:28 am
Replies: 4
by kanhere » Fri Mar 16, 2007 8:23 am

4 Replies

5614 Views

Last post by admin
Thu Mar 29, 2007 9:28 am
Positive total energy of an atom

Last post by admin « Thu Mar 29, 2007 9:22 am
Replies: 1
by baknoo » Wed Mar 28, 2007 11:28 am

1 Replies

3282 Views

Last post by admin
Thu Mar 29, 2007 9:22 am
promotion energy

Last post by admin « Thu Mar 29, 2007 9:12 am
Replies: 1
by mukul » Thu Mar 29, 2007 12:44 am

1 Replies

2777 Views

Last post by admin
Thu Mar 29, 2007 9:12 am
How to calculate the charge transfer in VASP?

Last post by Jiaye Li « Wed Mar 28, 2007 9:13 am
Replies: 3
by Anonymous » Fri Sep 17, 2004 1:07 pm

3 Replies

14452 Views

Last post by Jiaye Li
Wed Mar 28, 2007 9:13 am
Step in vacuum potentials

Last post by admin « Tue Mar 27, 2007 1:12 pm
Replies: 1
by des » Fri Mar 23, 2007 5:18 pm

1 Replies

2859 Views

Last post by admin
Tue Mar 27, 2007 1:12 pm
about ismear

Last post by admin « Tue Mar 27, 2007 12:35 pm
Replies: 5
by zhuanghl » Tue Jan 09, 2007 9:17 am

5 Replies

4585 Views

Last post by admin
Tue Mar 27, 2007 12:35 pm
NELECT

Last post by admin « Tue Mar 27, 2007 12:29 pm
Replies: 1
by kca002 » Sun Mar 25, 2007 3:57 pm

1 Replies

2918 Views

Last post by admin
Tue Mar 27, 2007 12:29 pm

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