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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

6669 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

4615 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

4565 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

3303 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

5482 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

7384 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

3525 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

3145 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

4060 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

3275 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

3733 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

3834 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

11706 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

3069 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

3047 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

4616 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

4511 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

3209 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

4481 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

4011 Views

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

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