Using VASP

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should magetisation always be an integer number?

Last post by hra « Thu May 17, 2007 10:24 pm
Replies: 2
by rgc » Thu Apr 12, 2007 10:11 am

2 Replies

3472 Views

Last post by hra
Thu May 17, 2007 10:24 pm
IONS

Last post by castro « Wed May 16, 2007 2:28 pm
Replies: 2
by castro » Tue Apr 17, 2007 7:57 pm

2 Replies

2680 Views

Last post by castro
Wed May 16, 2007 2:28 pm
Query

Last post by admin « Tue May 15, 2007 3:05 pm
Replies: 1
by kca002 » Sat May 12, 2007 12:36 am

1 Replies

3199 Views

Last post by admin
Tue May 15, 2007 3:05 pm
OPTIC VASP 4.6

Last post by angie « Mon May 14, 2007 12:56 pm
Replies: 2
by kamala » Fri May 11, 2007 7:36 am

2 Replies

2628 Views

Last post by angie
Mon May 14, 2007 12:56 pm
about cohesive energy

Last post by admin « Fri May 11, 2007 2:33 pm
Replies: 1
by xffan » Fri May 11, 2007 7:59 am

1 Replies

2881 Views

Last post by admin
Fri May 11, 2007 2:33 pm
for Si lattice constant

Last post by admin « Fri May 11, 2007 2:16 pm
Replies: 1
by xffan » Fri May 11, 2007 8:21 am

1 Replies

2639 Views

Last post by admin
Fri May 11, 2007 2:16 pm
DOS result problem?

Last post by admin « Tue May 08, 2007 7:22 am
Replies: 4
by nus11 » Thu Apr 19, 2007 4:51 am

4 Replies

3646 Views

Last post by admin
Tue May 08, 2007 7:22 am
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

4012 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

5154 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

5888 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

2936 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

3228 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

9413 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

2591 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

2233 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

2329 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

2556 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

3598 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

2675 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

3472 Views

Last post by vasp
Wed Apr 11, 2007 7:00 am

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