Using VASP

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Comparing band structures

Last post by user « Tue Oct 09, 2007 5:34 am
Replies: 2
by user » Sat Oct 06, 2007 11:07 pm

2 Replies

2597 Views

Last post by user
Tue Oct 09, 2007 5:34 am
Accurate total forces in SiO2

Last post by admin « Mon Oct 08, 2007 7:46 am
Replies: 1
by bdhehr » Thu Oct 04, 2007 5:02 pm

1 Replies

2648 Views

Last post by admin
Mon Oct 08, 2007 7:46 am
Frozen phonon calculation ?

Last post by admin « Mon Oct 08, 2007 7:39 am
Replies: 1
by nus11 » Thu Oct 04, 2007 6:21 pm

1 Replies

4219 Views

Last post by admin
Mon Oct 08, 2007 7:39 am
Information on the plane waves

Last post by admin « Mon Oct 08, 2007 7:35 am
Replies: 2
by janbor » Fri Oct 05, 2007 9:11 am

2 Replies

2330 Views

Last post by admin
Mon Oct 08, 2007 7:35 am
Is this Antiferro- or Ferrim-magnetic soloution-Again

Last post by admin « Mon Oct 08, 2007 7:31 am
Replies: 1
by vaspman » Sat Oct 06, 2007 7:12 am

1 Replies

2691 Views

Last post by admin
Mon Oct 08, 2007 7:31 am
different potential files

Last post by admin « Mon Oct 08, 2007 7:23 am
Replies: 3
by zlch5 » Wed Oct 03, 2007 9:44 pm

3 Replies

2704 Views

Last post by admin
Mon Oct 08, 2007 7:23 am
TDDFT

Last post by admin « Fri Oct 05, 2007 2:27 pm
Replies: 1
by Tanya » Fri Oct 05, 2007 11:52 am

1 Replies

3221 Views

Last post by admin
Fri Oct 05, 2007 2:27 pm
Bader charge

Last post by graeme « Thu Oct 04, 2007 4:02 am
Replies: 1
by raghunath » Wed Oct 03, 2007 8:34 am

1 Replies

8937 Views

Last post by graeme
Thu Oct 04, 2007 4:02 am
PDOS summation

Last post by admin « Wed Oct 03, 2007 7:03 am
Replies: 1
by Eugene » Tue Oct 02, 2007 6:43 pm

1 Replies

2593 Views

Last post by admin
Wed Oct 03, 2007 7:03 am
SCF

Last post by admin « Mon Oct 01, 2007 10:10 am
Replies: 1
by rudra-b » Fri Sep 28, 2007 2:59 pm

1 Replies

1974 Views

Last post by admin
Mon Oct 01, 2007 10:10 am
error

Last post by admin « Mon Oct 01, 2007 10:08 am
Replies: 1
by rudra-b » Sun Sep 30, 2007 5:45 pm

1 Replies

3492 Views

Last post by admin
Mon Oct 01, 2007 10:08 am
Optical properties

Last post by lsam « Fri Sep 28, 2007 9:16 am
Replies: 3
by lsam » Thu Sep 27, 2007 3:48 pm

3 Replies

3217 Views

Last post by lsam
Fri Sep 28, 2007 9:16 am
Lattice parameters and ICHARGE problem

Last post by admin « Fri Sep 28, 2007 8:48 am
Replies: 1
by vaspman » Fri Sep 28, 2007 4:44 am

1 Replies

2986 Views

Last post by admin
Fri Sep 28, 2007 8:48 am
core charge AECCAR0 and valance charge AECCAR2

Last post by admin « Thu Sep 27, 2007 8:17 am
Replies: 4
by lsam » Wed Sep 26, 2007 1:32 pm

4 Replies

4755 Views

Last post by admin
Thu Sep 27, 2007 8:17 am
STM images

Last post by admin « Wed Sep 26, 2007 1:49 pm
Replies: 1
by simoneca » Tue Sep 25, 2007 3:52 pm

1 Replies

3471 Views

Last post by admin
Wed Sep 26, 2007 1:49 pm
anion vacancy

Last post by simoneca « Wed Sep 26, 2007 7:17 am
Replies: 3
by weizz » Thu Sep 13, 2007 1:14 am

3 Replies

2828 Views

Last post by simoneca
Wed Sep 26, 2007 7:17 am
About POTCAR

Last post by admin « Tue Sep 25, 2007 11:12 am
Replies: 1
by saurabh@iacs » Thu Sep 20, 2007 8:35 pm

1 Replies

2186 Views

Last post by admin
Tue Sep 25, 2007 11:12 am
Default PAW potentials

Last post by admin « Tue Sep 25, 2007 11:08 am
Replies: 4
by saurabh@iacs » Wed Sep 19, 2007 11:06 am

4 Replies

3562 Views

Last post by admin
Tue Sep 25, 2007 11:08 am
DOS calculations for d-band center

Last post by admin « Tue Sep 25, 2007 11:02 am
Replies: 3
by phoudha » Thu Sep 06, 2007 11:46 am

3 Replies

5707 Views

Last post by admin
Tue Sep 25, 2007 11:02 am
V(xc)+E(xc) = XCENC not same

Last post by admin « Tue Sep 25, 2007 10:59 am
Replies: 1
by TAT » Wed Sep 19, 2007 4:18 am

1 Replies

2495 Views

Last post by admin
Tue Sep 25, 2007 10:59 am

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