Using VASP

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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

4350 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

5497 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

2640 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

4187 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

4084 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

4318 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

8496 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

4200 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

3163 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

11227 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

3850 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

3374 Views

Last post by admin
Tue Dec 01, 2009 2:11 pm
van der Waals interaction sin VASP 5.2

Last post by admin « Tue Dec 01, 2009 2:04 pm
Replies: 3
by jcconesa » Wed Apr 22, 2009 9:19 am

3 Replies

8494 Views

Last post by admin
Tue Dec 01, 2009 2:04 pm
The Transmission function

Last post by admin « Tue Dec 01, 2009 1:59 pm
Replies: 1
by jelenajelic » Wed Nov 25, 2009 10:13 pm

1 Replies

2966 Views

Last post by admin
Tue Dec 01, 2009 1:59 pm
Setting parameters for calculating correct Hessian matrix

Last post by admin « Tue Dec 01, 2009 1:55 pm
Replies: 2
by maryam » Mon Nov 23, 2009 7:43 am

2 Replies

3661 Views

Last post by admin
Tue Dec 01, 2009 1:55 pm
questions on DOS analysis

Last post by admin « Tue Dec 01, 2009 1:40 pm
Replies: 1
by luke419 » Wed Nov 25, 2009 11:28 pm

1 Replies

3461 Views

Last post by admin
Tue Dec 01, 2009 1:40 pm
L point

Last post by admin « Tue Dec 01, 2009 1:26 pm
Replies: 1
by goja25 » Fri Nov 27, 2009 12:48 pm

1 Replies

2877 Views

Last post by admin
Tue Dec 01, 2009 1:26 pm
Workshops / Schools on VASP?

Last post by admin « Mon Nov 30, 2009 8:33 am
Replies: 2
by Free Electron » Thu Nov 12, 2009 3:28 pm

2 Replies

3279 Views

Last post by admin
Mon Nov 30, 2009 8:33 am
Phase diagrams

Last post by Modey3 « Sat Nov 28, 2009 7:38 pm
Replies: 2
by rajeshc » Sat Jun 13, 2009 5:38 pm

2 Replies

3294 Views

Last post by Modey3
Sat Nov 28, 2009 7:38 pm
POTCAR

Last post by goja25 « Thu Nov 26, 2009 1:21 pm
Replies: 2
by goja25 » Tue Nov 17, 2009 9:53 am

2 Replies

3005 Views

Last post by goja25
Thu Nov 26, 2009 1:21 pm

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