Using VASP

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Graphene Calculation problem

Last post by metosa « Sun Oct 03, 2010 4:16 pm
Replies: 5
by PhyChemKang » Fri Oct 01, 2010 4:39 pm

5 Replies

8439 Views

Last post by metosa
Sun Oct 03, 2010 4:16 pm
Too many bands in the result

Last post by pkroll « Fri Oct 01, 2010 11:29 pm
Replies: 6
by tomic » Tue Aug 17, 2010 9:47 am

6 Replies

9209 Views

Last post by pkroll
Fri Oct 01, 2010 11:29 pm
How can I use the file of constr_cell_relax.F of VASP?

Last post by pkroll « Fri Oct 01, 2010 11:19 pm
Replies: 2
by zdhlover » Tue Sep 21, 2010 3:41 am

2 Replies

4530 Views

Last post by pkroll
Fri Oct 01, 2010 11:19 pm
DFT+U

Last post by apple « Fri Oct 01, 2010 10:25 pm
Replies: 3
by apple » Tue Sep 28, 2010 3:20 am

3 Replies

4845 Views

Last post by apple
Fri Oct 01, 2010 10:25 pm
Simple Question

Last post by PhyChemKang « Wed Sep 29, 2010 2:25 am
Replies: 2
by PhyChemKang » Tue Sep 28, 2010 11:59 am

2 Replies

3674 Views

Last post by PhyChemKang
Wed Sep 29, 2010 2:25 am
a question about POSCAR

Last post by dyc_2008 « Wed Sep 29, 2010 1:26 am
Replies: 2
by dyc_2008 » Tue Sep 28, 2010 12:09 pm

2 Replies

3663 Views

Last post by dyc_2008
Wed Sep 29, 2010 1:26 am
A semple question form a new user

Last post by metosa « Tue Sep 28, 2010 8:43 pm
Replies: 3
by dyc_2008 » Tue Sep 28, 2010 8:29 am

3 Replies

4046 Views

Last post by metosa
Tue Sep 28, 2010 8:43 pm
gamma point only

Last post by dyc_2008 « Mon Sep 27, 2010 2:44 am
Replies: 3
by Charles W. Bauschlicher » Fri Apr 21, 2006 9:53 pm

3 Replies

9115 Views

Last post by dyc_2008
Mon Sep 27, 2010 2:44 am
Compiling VASP in single precision

Last post by admin « Sun Sep 26, 2010 1:36 pm
Replies: 1
by jlrch » Sat Sep 25, 2010 6:31 pm

1 Replies

3338 Views

Last post by admin
Sun Sep 26, 2010 1:36 pm
Can I calculate the charge density value within 1E-7 accuracy?

Last post by VASP001 « Sat Sep 25, 2010 5:45 pm
Replies: 1
by yjpark » Tue Jul 20, 2010 4:43 am

1 Replies

3941 Views

Last post by VASP001
Sat Sep 25, 2010 5:45 pm
POSCAR for decimally compounds

Last post by forsdan « Thu Sep 23, 2010 8:14 am
Replies: 1
by ymogulkoc » Thu Sep 23, 2010 7:12 am

1 Replies

3960 Views

Last post by forsdan
Thu Sep 23, 2010 8:14 am
total energy in scf and nscf

Last post by cenwanglai « Tue Sep 21, 2010 6:53 am
Replies: 5
by wangqj1 » Sat Sep 04, 2010 12:07 pm

5 Replies

6123 Views

Last post by cenwanglai
Tue Sep 21, 2010 6:53 am
KPOINTS

Last post by alex « Mon Sep 20, 2010 7:59 am
Replies: 1
by AB » Wed Sep 15, 2010 12:43 pm

1 Replies

3043 Views

Last post by alex
Mon Sep 20, 2010 7:59 am
Calculation problem for Benzene

Last post by yuxiao_zihan « Sun Sep 19, 2010 1:45 pm
Replies: 1
by PhyChemKang » Sun Sep 19, 2010 8:36 am

1 Replies

4512 Views

Last post by yuxiao_zihan
Sun Sep 19, 2010 1:45 pm
relaxiation of the lattice

Last post by maartendft « Fri Sep 17, 2010 1:30 pm
Replies: 1
by hzhao » Fri Sep 17, 2010 12:57 pm

1 Replies

3111 Views

Last post by maartendft
Fri Sep 17, 2010 1:30 pm
Orbital moment of a single isolated Terbium (Tb) atom: LDA+U+SOC

Last post by boris « Fri Sep 17, 2010 8:19 am
Replies: 1
by saurabh_2802 » Thu Sep 16, 2010 8:13 pm

1 Replies

4600 Views

Last post by boris
Fri Sep 17, 2010 8:19 am
Homogeneous electron gas

Last post by tholme « Tue Sep 14, 2010 6:33 pm
Replies: 2
by ashwin » Wed Feb 10, 2010 2:31 pm

2 Replies

5973 Views

Last post by tholme
Tue Sep 14, 2010 6:33 pm
PBE0 convergence tactics

Last post by schani « Tue Sep 14, 2010 9:15 am
Replies: 2
by schani » Thu Sep 09, 2010 8:28 am

2 Replies

3723 Views

Last post by schani
Tue Sep 14, 2010 9:15 am
Elastic constant

Last post by boris « Fri Sep 10, 2010 6:37 am
Replies: 1
by zaz » Thu Sep 09, 2010 2:27 pm

1 Replies

3660 Views

Last post by boris
Fri Sep 10, 2010 6:37 am
Band decomposed charge density

Last post by zoowe « Thu Sep 09, 2010 6:00 pm
Replies: 5
by jlrch » Mon Sep 06, 2010 7:22 pm

5 Replies

6174 Views

Last post by zoowe
Thu Sep 09, 2010 6:00 pm

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