Using VASP

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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

3435 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

4572 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

3207 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

2978 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

2779 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

3863 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

2691 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

3227 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

2876 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

3244 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

3580 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

4697 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

3034 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

2540 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

3387 Views

Last post by admin
Thu Nov 30, 2006 2:34 pm
What happens at each kpoint ?

Last post by admin « Thu Nov 30, 2006 2:27 pm
Replies: 1
by hcchoi » Thu Nov 30, 2006 7:38 am

1 Replies

2581 Views

Last post by admin
Thu Nov 30, 2006 2:27 pm
optimization of geometry

Last post by admin « Wed Nov 29, 2006 1:29 pm
Replies: 1
by sgoumri » Wed Nov 29, 2006 12:35 pm

1 Replies

2758 Views

Last post by admin
Wed Nov 29, 2006 1:29 pm
what's mean the f/i

Last post by admin « Tue Nov 28, 2006 12:01 pm
Replies: 2
by wsyjsrrp » Tue Nov 28, 2006 2:33 am

2 Replies

3550 Views

Last post by admin
Tue Nov 28, 2006 12:01 pm
To add the frozen core charge to CHGCAR?

Last post by admin « Mon Nov 27, 2006 12:28 pm
Replies: 1
by zhantian » Tue Nov 21, 2006 8:10 am

1 Replies

2755 Views

Last post by admin
Mon Nov 27, 2006 12:28 pm
Restart of frequency calculation

Last post by loschen « Mon Nov 27, 2006 12:10 pm
Replies: 2
by loschen » Thu Nov 16, 2006 2:42 pm

2 Replies

3974 Views

Last post by loschen
Mon Nov 27, 2006 12:10 pm

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