Using VASP

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relaxation of structure EDIFFG!!!!!!!

Last post by tjf « Thu Dec 14, 2006 9:55 am
Replies: 6
by ouarda » Mon Dec 11, 2006 3:29 pm

6 Replies

9211 Views

Last post by tjf
Thu Dec 14, 2006 9:55 am
Is it necessary to switch off the symmetry when using spin-orbit coupling?

Last post by admin « Thu Dec 14, 2006 8:17 am
Replies: 1
by xianghjun » Wed Dec 13, 2006 2:48 pm

1 Replies

4386 Views

Last post by admin
Thu Dec 14, 2006 8:17 am
Platinum surface relaxation ( what is the suitable ISIF value?)

Last post by admin « Wed Dec 13, 2006 1:14 pm
Replies: 1
by neogien » Wed Dec 13, 2006 6:35 am

1 Replies

5282 Views

Last post by admin
Wed Dec 13, 2006 1:14 pm
Different total energy when running parallel version

Last post by admin « Tue Dec 12, 2006 2:01 pm
Replies: 4
by slaubach » Tue Dec 05, 2006 9:17 am

4 Replies

6820 Views

Last post by admin
Tue Dec 12, 2006 2:01 pm
cohesive energy

Last post by admin « Mon Dec 11, 2006 2:05 pm
Replies: 1
by windintone » Fri Dec 08, 2006 7:30 am

1 Replies

5158 Views

Last post by admin
Mon Dec 11, 2006 2:05 pm
kpoints bcc Fe

Last post by admin « Mon Dec 11, 2006 1:46 pm
Replies: 1
by bigdaddy » Mon Dec 11, 2006 9:44 am

1 Replies

4911 Views

Last post by admin
Mon Dec 11, 2006 1:46 pm
selective dynamics problem

Last post by tjf « Sat Dec 09, 2006 7:42 pm
Replies: 3
by forwordom » Thu Dec 07, 2006 11:58 am

3 Replies

6765 Views

Last post by tjf
Sat Dec 09, 2006 7:42 pm
DOS and BAND STRUCTURE

Last post by admin « Thu Dec 07, 2006 10:22 am
Replies: 1
by zhuanghl » Thu Dec 07, 2006 10:13 am

1 Replies

4783 Views

Last post by admin
Thu Dec 07, 2006 10:22 am
Concerning ELFCAR

Last post by admin « Thu Dec 07, 2006 10:18 am
Replies: 1
by Damien » Thu Dec 07, 2006 9:14 am

1 Replies

4436 Views

Last post by admin
Thu Dec 07, 2006 10:18 am
NEB Transition State Calculation

Last post by admin « Thu Dec 07, 2006 6:21 am
Replies: 1
by lcyin » Wed Dec 06, 2006 7:57 am

1 Replies

4060 Views

Last post by admin
Thu Dec 07, 2006 6:21 am
Is GADGET distributed?

Last post by admin « Thu Dec 07, 2006 6:19 am
Replies: 1
by fish » Tue Dec 05, 2006 6:05 pm

1 Replies

5334 Views

Last post by admin
Thu Dec 07, 2006 6:19 am
atoms shifted ? question about CHGCAR

Last post by admin « Tue Dec 05, 2006 2:59 pm
Replies: 1
by nus11 » Mon Dec 04, 2006 9:17 pm

1 Replies

4126 Views

Last post by admin
Tue Dec 05, 2006 2:59 pm
problem on globusrun

Last post by admin « Tue Dec 05, 2006 2:36 pm
Replies: 1
by kanhere » Tue Dec 05, 2006 4:21 am

1 Replies

4579 Views

Last post by admin
Tue Dec 05, 2006 2:36 pm
How DOS is calculated.

Last post by admin « Tue Dec 05, 2006 2:14 pm
Replies: 1
by yilmaz » Mon Dec 04, 2006 10:24 pm

1 Replies

4233 Views

Last post by admin
Tue Dec 05, 2006 2:14 pm
How to perform MD calculations?

Last post by mann « Tue Dec 05, 2006 7:29 am
Replies: 2
by MDrizzle » Wed Nov 22, 2006 3:32 pm

2 Replies

4948 Views

Last post by mann
Tue Dec 05, 2006 7:29 am
"VERY BAD NEWS!"

Last post by admin « Mon Dec 04, 2006 1:57 pm
Replies: 2
by xfh » Sun Dec 03, 2006 1:59 am

2 Replies

5242 Views

Last post by admin
Mon Dec 04, 2006 1:57 pm
density of states

Last post by admin « Mon Dec 04, 2006 1:55 pm
Replies: 2
by brocks » Fri Dec 01, 2006 8:56 pm

2 Replies

6350 Views

Last post by admin
Mon Dec 04, 2006 1:55 pm
Charged atom

Last post by admin « Fri Dec 01, 2006 12:32 pm
Replies: 1
by gutk » Fri Dec 01, 2006 8:27 am

1 Replies

4312 Views

Last post by admin
Fri Dec 01, 2006 12:32 pm
running on condor/globus

Last post by admin « Fri Dec 01, 2006 12:27 pm
Replies: 1
by kanhere » Fri Dec 01, 2006 5:47 am

1 Replies

3920 Views

Last post by admin
Fri Dec 01, 2006 12:27 pm
How to choose ISMEAR for an unknown system

Last post by admin « Thu Nov 30, 2006 2:34 pm
Replies: 2
by forwordom » Thu Nov 30, 2006 9:04 am

2 Replies

5131 Views

Last post by admin
Thu Nov 30, 2006 2:34 pm

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