Using VASP

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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

7634 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

3681 Views

Last post by admin
Tue Sep 25, 2007 10:59 am
about spin-orbit

Last post by admin « Tue Sep 25, 2007 10:49 am
Replies: 1
by xlzou » Wed Sep 19, 2007 12:56 am

1 Replies

3320 Views

Last post by admin
Tue Sep 25, 2007 10:49 am
Periodicity?

Last post by admin « Tue Sep 25, 2007 10:48 am
Replies: 3
by Lecuyern » Fri Sep 14, 2007 1:18 pm

3 Replies

4278 Views

Last post by admin
Tue Sep 25, 2007 10:48 am
Total charge

Last post by admin « Tue Sep 25, 2007 10:40 am
Replies: 1
by saswata » Tue Sep 18, 2007 7:17 am

1 Replies

3455 Views

Last post by admin
Tue Sep 25, 2007 10:40 am
negative valuesin CHGCAR

Last post by rajeshc « Mon Sep 24, 2007 3:36 pm
Replies: 2
by rajeshc » Sat Sep 22, 2007 5:52 am

2 Replies

3908 Views

Last post by rajeshc
Mon Sep 24, 2007 3:36 pm
ZnO-lattice parameters problem

Last post by zhichengzhong « Sun Sep 23, 2007 8:18 pm
Replies: 1
by vaspman » Sat Sep 22, 2007 4:53 am

1 Replies

3987 Views

Last post by zhichengzhong
Sun Sep 23, 2007 8:18 pm
DOS calculation AGAIN!

Last post by dcurulla « Wed Sep 19, 2007 10:25 pm
Replies: 5
by dcurulla » Mon Aug 27, 2007 12:59 pm

5 Replies

11986 Views

Last post by dcurulla
Wed Sep 19, 2007 10:25 pm
B3LYP

Last post by admin « Mon Sep 17, 2007 10:55 am
Replies: 1
by minyork » Fri Sep 14, 2007 8:37 pm

1 Replies

3228 Views

Last post by admin
Mon Sep 17, 2007 10:55 am
fix magnetizations

Last post by Greekman « Sun Sep 16, 2007 8:33 am
Replies: 1
by simoneca » Fri Sep 14, 2007 12:51 pm

1 Replies

3200 Views

Last post by Greekman
Sun Sep 16, 2007 8:33 am
Gamma centered k-point grids

Last post by danielk « Sat Sep 15, 2007 4:45 pm
Replies: 3
by hh » Thu Sep 13, 2007 9:46 am

3 Replies

4836 Views

Last post by danielk
Sat Sep 15, 2007 4:45 pm
Fermi Energy and Density of States

Last post by phoudha « Fri Sep 14, 2007 2:01 pm
Replies: 2
by phoudha » Thu Sep 13, 2007 6:57 pm

2 Replies

4697 Views

Last post by phoudha
Fri Sep 14, 2007 2:01 pm
Symmetry

Last post by admin « Fri Sep 14, 2007 9:36 am
Replies: 1
by minyork » Wed Sep 12, 2007 6:45 pm

1 Replies

3366 Views

Last post by admin
Fri Sep 14, 2007 9:36 am
Valence Charge density

Last post by admin « Wed Sep 12, 2007 1:15 pm
Replies: 1
by TAT » Fri Sep 07, 2007 7:53 pm

1 Replies

4652 Views

Last post by admin
Wed Sep 12, 2007 1:15 pm
Density of States Queries

Last post by admin « Wed Sep 12, 2007 1:09 pm
Replies: 1
by danielk » Mon Sep 10, 2007 3:05 pm

1 Replies

4190 Views

Last post by admin
Wed Sep 12, 2007 1:09 pm
Basis set problem

Last post by admin « Wed Sep 12, 2007 1:00 pm
Replies: 1
by Tian » Thu Sep 06, 2007 3:34 am

1 Replies

3036 Views

Last post by admin
Wed Sep 12, 2007 1:00 pm
Magnetization during adsorption

Last post by admin « Wed Sep 12, 2007 12:55 pm
Replies: 1
by simoneca » Tue Sep 11, 2007 12:12 pm

1 Replies

3527 Views

Last post by admin
Wed Sep 12, 2007 12:55 pm
problem to energy of single atom

Last post by admin « Wed Sep 05, 2007 1:49 pm
Replies: 3
by minyork » Fri Aug 31, 2007 6:08 pm

3 Replies

5358 Views

Last post by admin
Wed Sep 05, 2007 1:49 pm
Now, LORBIT and RWIGS

Last post by admin « Fri Aug 31, 2007 1:49 pm
Replies: 2
by dcurulla » Thu Aug 30, 2007 3:28 pm

2 Replies

4656 Views

Last post by admin
Fri Aug 31, 2007 1:49 pm
Question for electron localization problem using DFT+U

Last post by aron « Thu Aug 30, 2007 6:41 pm
Replies: 1
by Eastar » Tue Aug 28, 2007 6:53 am

1 Replies

3918 Views

Last post by aron
Thu Aug 30, 2007 6:41 pm

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