Using VASP

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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

6116 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

5328 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

4473 Views

Last post by aron
Thu Aug 30, 2007 6:41 pm
2D Calculation with Tetrahydron Bloechl Correction

Last post by Greekman « Thu Aug 30, 2007 8:35 am
Replies: 2
by Greekman » Wed Aug 29, 2007 1:34 pm

2 Replies

5158 Views

Last post by Greekman
Thu Aug 30, 2007 8:35 am
the road map of the force.f90

Last post by admin « Wed Aug 29, 2007 12:26 pm
Replies: 1
by wys0924 » Wed Aug 22, 2007 8:54 pm

1 Replies

3994 Views

Last post by admin
Wed Aug 29, 2007 12:26 pm
INCAR

Last post by admin « Wed Aug 29, 2007 11:07 am
Replies: 2
by rudra-b » Mon Aug 27, 2007 5:16 pm

2 Replies

4596 Views

Last post by admin
Wed Aug 29, 2007 11:07 am
CHARGE

Last post by admin « Fri Aug 24, 2007 9:45 am
Replies: 1
by rajeshc » Thu Aug 23, 2007 1:29 pm

1 Replies

3845 Views

Last post by admin
Fri Aug 24, 2007 9:45 am
LORBIT=12

Last post by admin « Thu Aug 23, 2007 9:23 am
Replies: 1
by rajeshc » Thu Aug 23, 2007 5:41 am

1 Replies

4429 Views

Last post by admin
Thu Aug 23, 2007 9:23 am
NSW=1

Last post by admin « Wed Aug 22, 2007 12:55 pm
Replies: 1
by rajeshc » Wed Aug 22, 2007 8:15 am

1 Replies

5029 Views

Last post by admin
Wed Aug 22, 2007 12:55 pm
error in Simulated Annealing calculations

Last post by minyork « Fri Aug 17, 2007 3:40 pm
Replies: 5
by minyork » Mon Aug 13, 2007 10:11 pm

5 Replies

6594 Views

Last post by minyork
Fri Aug 17, 2007 3:40 pm
SC in static calculation

Last post by admin « Fri Aug 17, 2007 9:51 am
Replies: 3
by rudra-b » Wed Aug 15, 2007 4:01 pm

3 Replies

5115 Views

Last post by admin
Fri Aug 17, 2007 9:51 am
Efield

Last post by lcyin « Fri Aug 17, 2007 6:41 am
Replies: 1
by acharyachethan » Mon Oct 16, 2006 6:53 pm

1 Replies

4340 Views

Last post by lcyin
Fri Aug 17, 2007 6:41 am
PROCAR File Does

Last post by admin « Thu Aug 16, 2007 9:49 am
Replies: 3
by papoulia » Sun Aug 05, 2007 2:46 pm

3 Replies

5358 Views

Last post by admin
Thu Aug 16, 2007 9:49 am
LSORBIT=True

Last post by admin « Thu Aug 16, 2007 9:35 am
Replies: 1
by rajeshc » Tue Aug 14, 2007 3:43 pm

1 Replies

4353 Views

Last post by admin
Thu Aug 16, 2007 9:35 am
How to obtain PAW PP's

Last post by admin « Thu Aug 16, 2007 9:29 am
Replies: 1
by janbor » Mon Aug 13, 2007 10:39 am

1 Replies

4065 Views

Last post by admin
Thu Aug 16, 2007 9:29 am
Slab calculations

Last post by admin « Tue Aug 14, 2007 2:29 pm
Replies: 1
by rajeshc » Tue Aug 14, 2007 5:24 am

1 Replies

4856 Views

Last post by admin
Tue Aug 14, 2007 2:29 pm
IBZKPT & SGRCON

Last post by admin « Tue Aug 14, 2007 2:20 pm
Replies: 1
by TAT » Fri Aug 10, 2007 4:21 am

1 Replies

6681 Views

Last post by admin
Tue Aug 14, 2007 2:20 pm
Fermi energy and Total energy within Dipole correction

Last post by Damien « Thu Aug 09, 2007 1:40 pm
Replies: 1
by Damien » Thu Aug 09, 2007 1:00 pm

1 Replies

4129 Views

Last post by Damien
Thu Aug 09, 2007 1:40 pm
Units of RWIGS

Last post by admin « Wed Aug 08, 2007 10:26 am
Replies: 1
by papoulia » Tue Aug 07, 2007 11:07 am

1 Replies

3854 Views

Last post by admin
Wed Aug 08, 2007 10:26 am
Questions about INCAR tags

Last post by admin « Wed Aug 08, 2007 10:25 am
Replies: 2
by dido » Mon Aug 06, 2007 3:09 pm

2 Replies

4745 Views

Last post by admin
Wed Aug 08, 2007 10:25 am

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