Using VASP

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relativistic pseudo potential for gold

Last post by admin « Thu May 18, 2006 1:54 pm
Replies: 3
by davide ricci » Fri Mar 25, 2005 12:27 am

3 Replies

11393 Views

Last post by admin
Thu May 18, 2006 1:54 pm
Restricted movement

Last post by tjf « Mon May 15, 2006 1:46 pm
Replies: 6
by forsdan » Wed May 10, 2006 11:05 am

6 Replies

13886 Views

Last post by tjf
Mon May 15, 2006 1:46 pm
Total E not conserved in a MD run (smass=-3)

Last post by phtobias « Sat May 13, 2006 7:37 am
Replies: 3
by phtobias » Tue Apr 18, 2006 3:05 am

3 Replies

8820 Views

Last post by phtobias
Sat May 13, 2006 7:37 am
Whether could I ask the administrator of VASP in my group to download the Tb standard potential?

Last post by MDrizzle « Tue May 09, 2006 7:54 pm
Replies: 3
by MDrizzle » Thu May 04, 2006 1:45 pm

3 Replies

8851 Views

Last post by MDrizzle
Tue May 09, 2006 7:54 pm
problem on RWIGS

Last post by admin « Tue May 09, 2006 9:59 am
Replies: 1
by hehui » Tue May 09, 2006 2:50 am

1 Replies

7006 Views

Last post by admin
Tue May 09, 2006 9:59 am
LDOS calculation: error from vasp.err

Last post by Veronika « Mon May 08, 2006 8:09 am
Replies: 1
by opvu » Sun May 07, 2006 2:32 pm

1 Replies

8078 Views

Last post by Veronika
Mon May 08, 2006 8:09 am
What does the number '3' mean in the name of PAW Ce_3 potential

Last post by MDrizzle « Thu May 04, 2006 1:49 pm
Replies: 2
by MDrizzle » Thu May 04, 2006 12:27 pm

2 Replies

7375 Views

Last post by MDrizzle
Thu May 04, 2006 1:49 pm
ISMEAR for semiconductors

Last post by Graciani « Wed May 03, 2006 12:28 pm
Replies: 1
by hu007 » Wed Apr 26, 2006 3:09 pm

1 Replies

7413 Views

Last post by Graciani
Wed May 03, 2006 12:28 pm
frequency calculation

Last post by konglt « Mon May 01, 2006 12:24 pm
Replies: 3
by hlzya » Thu Apr 13, 2006 1:30 pm

3 Replies

10376 Views

Last post by konglt
Mon May 01, 2006 12:24 pm
Energy additive

Last post by tjf « Mon May 01, 2006 8:57 am
Replies: 1
by bandy » Mon May 01, 2006 4:07 am

1 Replies

6317 Views

Last post by tjf
Mon May 01, 2006 8:57 am
frequency

Last post by hlzya « Sat Apr 29, 2006 1:30 am
Replies: 4
by acharyachethan » Wed Apr 26, 2006 4:38 am

4 Replies

11176 Views

Last post by hlzya
Sat Apr 29, 2006 1:30 am
residual force for EDIFFG < 0

Last post by tjf « Thu Apr 27, 2006 10:41 am
Replies: 1
by okuno » Thu Apr 27, 2006 6:27 am

1 Replies

10354 Views

Last post by tjf
Thu Apr 27, 2006 10:41 am
4f in Hf-Au pseudopotentials

Last post by admin « Wed Apr 26, 2006 1:19 pm
Replies: 1
by Tiger-paw » Thu Apr 13, 2006 4:03 pm

1 Replies

6863 Views

Last post by admin
Wed Apr 26, 2006 1:19 pm
how to use Harris Foulkes Function in calculation?

Last post by admin « Wed Apr 26, 2006 1:08 pm

by admin » Wed Apr 26, 2006 1:08 pm

0 Replies

5574 Views

Last post by admin
Wed Apr 26, 2006 1:08 pm
augmentation part

Last post by admin « Wed Apr 26, 2006 11:58 am
Replies: 1
by Charles W. Bauschlicher » Fri Apr 21, 2006 9:55 pm

1 Replies

7433 Views

Last post by admin
Wed Apr 26, 2006 11:58 am
STM image plot

Last post by admin « Wed Apr 26, 2006 10:48 am
Replies: 1
by bandy » Sun Apr 23, 2006 6:21 pm

1 Replies

7636 Views

Last post by admin
Wed Apr 26, 2006 10:48 am
Spin Polarisation

Last post by admin « Wed Apr 26, 2006 10:33 am
Replies: 1
by hu007 » Tue Apr 25, 2006 9:48 pm

1 Replies

6360 Views

Last post by admin
Wed Apr 26, 2006 10:33 am
Groundstate Structure determination

Last post by admin « Wed Apr 26, 2006 10:25 am
Replies: 3
by bruent » Wed Jun 29, 2005 5:40 am

3 Replies

10104 Views

Last post by admin
Wed Apr 26, 2006 10:25 am
calculation problems

Last post by admin « Wed Apr 26, 2006 10:21 am
Replies: 1
by hehui » Tue Apr 18, 2006 6:50 am

1 Replies

7149 Views

Last post by admin
Wed Apr 26, 2006 10:21 am
Eu - convergence problem

Last post by admin « Wed Apr 26, 2006 10:05 am
Replies: 1
by user » Mon Apr 17, 2006 3:04 pm

1 Replies

6882 Views

Last post by admin
Wed Apr 26, 2006 10:05 am

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