Using VASP

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calculate the basic parameter of Si molecule

Last post by panda « Fri Feb 05, 2010 7:10 pm
Replies: 2
by sanjaysahare20 » Wed Feb 03, 2010 11:11 am

2 Replies

3297 Views

Last post by panda
Fri Feb 05, 2010 7:10 pm
How to compute the elastic moduli?

Last post by admin « Fri Feb 05, 2010 3:28 pm
Replies: 1
by VASP001 » Mon Jan 11, 2010 1:38 pm

1 Replies

3176 Views

Last post by admin
Fri Feb 05, 2010 3:28 pm
spin contamination in unrestricted HF

Last post by admin « Fri Feb 05, 2010 3:25 pm
Replies: 1
by nsai » Tue Jan 12, 2010 11:57 pm

1 Replies

4287 Views

Last post by admin
Fri Feb 05, 2010 3:25 pm
slab convergence

Last post by admin « Fri Feb 05, 2010 3:12 pm
Replies: 2
by giacomo giorgi » Thu Jan 14, 2010 3:57 am

2 Replies

5318 Views

Last post by admin
Fri Feb 05, 2010 3:12 pm
hard pseudopotential for cabon ( C_h )

Last post by admin « Fri Feb 05, 2010 2:30 pm
Replies: 1
by solccp » Wed Feb 03, 2010 6:13 am

1 Replies

2715 Views

Last post by admin
Fri Feb 05, 2010 2:30 pm
anatase and rutile

Last post by zoowe « Thu Feb 04, 2010 2:54 pm
Replies: 9
by giacomo giorgi » Wed Feb 03, 2010 7:23 am

9 Replies

9177 Views

Last post by zoowe
Thu Feb 04, 2010 2:54 pm
OUTCAR File

Last post by admin « Thu Feb 04, 2010 2:01 pm
Replies: 1
by sanjaysahare20 » Thu Feb 04, 2010 1:41 pm

1 Replies

3611 Views

Last post by admin
Thu Feb 04, 2010 2:01 pm
Is this two POSCAR file describing the same structrue?

Last post by aron « Wed Feb 03, 2010 8:50 pm
Replies: 3
by dsagfds » Mon Feb 01, 2010 4:50 am

3 Replies

5834 Views

Last post by aron
Wed Feb 03, 2010 8:50 pm
ScaLAPACK .VS. LAPACK

Last post by panda « Fri Jan 29, 2010 5:48 pm
Replies: 6
by zoowe » Wed Jan 27, 2010 3:44 pm

6 Replies

10756 Views

Last post by panda
Fri Jan 29, 2010 5:48 pm
elastic constants of hcp structure

Last post by skaram « Fri Jan 22, 2010 2:03 pm
Replies: 3
by skaram » Mon Dec 21, 2009 4:09 pm

3 Replies

8858 Views

Last post by skaram
Fri Jan 22, 2010 2:03 pm
POSCAR

Last post by forsdan « Wed Jan 20, 2010 7:20 pm
Replies: 3
by vasp_user » Wed Jan 20, 2010 12:00 am

3 Replies

5133 Views

Last post by forsdan
Wed Jan 20, 2010 7:20 pm
How to aminate the normal mode?

Last post by Jiaye Li « Sat Jan 16, 2010 6:10 am
Replies: 1
by Jiaye Li » Tue Jan 12, 2010 7:42 am

1 Replies

3341 Views

Last post by Jiaye Li
Sat Jan 16, 2010 6:10 am
How to calculate "heat of formation" using Vasp?

Last post by forsdan « Wed Jan 13, 2010 5:43 pm
Replies: 12
by ferdows » Mon Dec 14, 2009 2:37 am

12 Replies

17850 Views

Last post by forsdan
Wed Jan 13, 2010 5:43 pm
Reading in coordinates

Last post by alex « Tue Jan 12, 2010 7:41 am
Replies: 1
by lyon0100 » Mon Jan 11, 2010 9:36 pm

1 Replies

2986 Views

Last post by alex
Tue Jan 12, 2010 7:41 am
about external electric field

Last post by VASP001 « Sun Jan 10, 2010 2:25 pm
Replies: 1
by sim » Mon Oct 26, 2009 8:32 am

1 Replies

3959 Views

Last post by VASP001
Sun Jan 10, 2010 2:25 pm
How to set NEDOS according to the differnet systems ?

Last post by VASP001 « Fri Jan 08, 2010 1:03 pm
Replies: 2
by VASP001 » Sat Jan 02, 2010 2:31 am

2 Replies

4052 Views

Last post by VASP001
Fri Jan 08, 2010 1:03 pm
Energy of an isolated atom for adsorption on a cluster

Last post by lcyin « Fri Jan 08, 2010 8:17 am
Replies: 2
by vasp » Wed Dec 30, 2009 4:38 am

2 Replies

5731 Views

Last post by lcyin
Fri Jan 08, 2010 8:17 am
Cr dimer

Last post by jlrch « Fri Jan 08, 2010 2:34 am
Replies: 2
by rudra-b » Wed Oct 21, 2009 8:50 am

2 Replies

3747 Views

Last post by jlrch
Fri Jan 08, 2010 2:34 am
THE PROBLEM OF THE CONVERGENCY BY INCREASING THE SIZE OF THE SLAB

Last post by physicalattraction « Thu Jan 07, 2010 10:00 am
Replies: 1
by maryam » Sat Jan 02, 2010 6:00 am

1 Replies

3683 Views

Last post by physicalattraction
Thu Jan 07, 2010 10:00 am
how to plot the spin polarized charge density

Last post by panda « Thu Dec 31, 2009 4:29 am
Replies: 6
by ktao » Tue Sep 30, 2008 8:59 am

6 Replies

16552 Views

Last post by panda
Thu Dec 31, 2009 4:29 am

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