Using VASP

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Energy of an isolated atom for adsorption on a cluster

Last post by lcyin « Fri Jan 08, 2010 8:17 am
Replies: 2
by vasp » Wed Dec 30, 2009 4:38 am

2 Replies

6326 Views

Last post by lcyin
Fri Jan 08, 2010 8:17 am
Cr dimer

Last post by jlrch « Fri Jan 08, 2010 2:34 am
Replies: 2
by rudra-b » Wed Oct 21, 2009 8:50 am

2 Replies

4164 Views

Last post by jlrch
Fri Jan 08, 2010 2:34 am
THE PROBLEM OF THE CONVERGENCY BY INCREASING THE SIZE OF THE SLAB

Last post by physicalattraction « Thu Jan 07, 2010 10:00 am
Replies: 1
by maryam » Sat Jan 02, 2010 6:00 am

1 Replies

4053 Views

Last post by physicalattraction
Thu Jan 07, 2010 10:00 am
how to plot the spin polarized charge density

Last post by panda « Thu Dec 31, 2009 4:29 am
Replies: 6
by ktao » Tue Sep 30, 2008 8:59 am

6 Replies

17616 Views

Last post by panda
Thu Dec 31, 2009 4:29 am
Problems reading WAVEDER

Last post by panda « Wed Dec 30, 2009 10:34 pm
Replies: 11
by ashwin » Thu Dec 03, 2009 7:27 pm

11 Replies

12826 Views

Last post by panda
Wed Dec 30, 2009 10:34 pm
Reproducing bandgap of GaAs as PRB75 235102

Last post by pumpkin « Mon Dec 28, 2009 1:13 am
Replies: 1
by pumpkin » Tue Dec 22, 2009 1:56 pm

1 Replies

4757 Views

Last post by pumpkin
Mon Dec 28, 2009 1:13 am
local workfunction

Last post by hfruchtl « Fri Dec 18, 2009 2:48 pm
Replies: 3
by hfruchtl » Mon Dec 14, 2009 11:55 am

3 Replies

6109 Views

Last post by hfruchtl
Fri Dec 18, 2009 2:48 pm
Why symmetry couldnt be deducted using ISYM

Last post by admin « Thu Dec 17, 2009 4:18 pm
Replies: 1
by muthukumar2k3 » Wed Dec 16, 2009 3:40 pm

1 Replies

3573 Views

Last post by admin
Thu Dec 17, 2009 4:18 pm
Isolated molecules & unoccupied orbitals: does the basis set matter?

Last post by physicalattraction « Tue Dec 15, 2009 2:04 pm
Replies: 1
by ferdl » Mon Dec 14, 2009 3:35 pm

1 Replies

5105 Views

Last post by physicalattraction
Tue Dec 15, 2009 2:04 pm
Misunderstanding output

Last post by tlchan « Fri Dec 11, 2009 3:40 pm
Replies: 4
by lyon0100 » Mon Dec 07, 2009 1:25 am

4 Replies

6905 Views

Last post by tlchan
Fri Dec 11, 2009 3:40 pm
hit a member that was already found in another star

Last post by boris « Fri Dec 11, 2009 2:16 pm
Replies: 1
by zhangwei818800 » Fri Dec 11, 2009 1:28 pm

1 Replies

3173 Views

Last post by boris
Fri Dec 11, 2009 2:16 pm
One question about the chgdiff.pl script

Last post by Lizhe « Tue Dec 08, 2009 1:46 am
Replies: 2
by Lizhe » Mon Nov 23, 2009 8:27 am

2 Replies

5061 Views

Last post by Lizhe
Tue Dec 08, 2009 1:46 am
Bader analysis

Last post by panda « Mon Dec 07, 2009 6:39 pm
Replies: 1
by skonar » Wed Dec 02, 2009 1:18 pm

1 Replies

4637 Views

Last post by panda
Mon Dec 07, 2009 6:39 pm
Last step in Band Structure Calculation

Last post by panda « Mon Dec 07, 2009 6:22 pm
Replies: 4
by lyon0100 » Mon Nov 23, 2009 6:30 am

4 Replies

5467 Views

Last post by panda
Mon Dec 07, 2009 6:22 pm
band plot for GW0

Last post by panda « Mon Dec 07, 2009 5:45 pm
Replies: 8
by giacomo giorgi » Thu Nov 19, 2009 9:49 am

8 Replies

9818 Views

Last post by panda
Mon Dec 07, 2009 5:45 pm
PARTIAL CHARGE question

Last post by admin « Mon Dec 07, 2009 9:33 am
Replies: 1
by Eduard » Thu Dec 03, 2009 2:30 pm

1 Replies

4761 Views

Last post by admin
Mon Dec 07, 2009 9:33 am
gamma point only -> LEPSILON

Last post by tholme « Thu Dec 03, 2009 5:36 pm
Replies: 1
by tholme » Wed Nov 18, 2009 11:03 pm

1 Replies

3713 Views

Last post by tholme
Thu Dec 03, 2009 5:36 pm
a problem in NEB calculation

Last post by boris « Thu Dec 03, 2009 7:47 am
Replies: 11
by enthusiastic » Fri Nov 20, 2009 7:16 am

11 Replies

14119 Views

Last post by boris
Thu Dec 03, 2009 7:47 am
Van der Waals interaction in VASP

Last post by rubel75 « Tue Dec 01, 2009 2:26 pm
Replies: 2
by rubel75 » Thu Nov 26, 2009 1:26 pm

2 Replies

4406 Views

Last post by rubel75
Tue Dec 01, 2009 2:26 pm
Constraint Force

Last post by admin « Tue Dec 01, 2009 2:11 pm
Replies: 1
by pmignon » Tue Nov 17, 2009 6:05 pm

1 Replies

4064 Views

Last post by admin
Tue Dec 01, 2009 2:11 pm

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