Using VASP

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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

3950 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

5229 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

4025 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

4485 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

4140 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

4832 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

5093 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

6203 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

4215 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

3816 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

5016 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

3778 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

4158 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

5146 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

4047 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

5556 Views

Last post by loschen
Mon Nov 27, 2006 12:10 pm
A question about relativistic effect

Last post by admin « Mon Nov 27, 2006 9:29 am
Replies: 1
by xiaomatao » Sun Nov 19, 2006 2:05 pm

1 Replies

4278 Views

Last post by admin
Mon Nov 27, 2006 9:29 am
Density of States in 1D structures

Last post by admin « Mon Nov 27, 2006 9:27 am
Replies: 1
by Damien » Mon Nov 27, 2006 8:43 am

1 Replies

4510 Views

Last post by admin
Mon Nov 27, 2006 9:27 am
WARNING :stress and forces are not correct

Last post by admin « Mon Nov 27, 2006 9:19 am
Replies: 1
by forwordom » Fri Nov 24, 2006 12:28 pm

1 Replies

4948 Views

Last post by admin
Mon Nov 27, 2006 9:19 am
reference for spin-orbit coupling

Last post by xianghjun « Sun Nov 26, 2006 9:27 pm
Replies: 1
by windiks » Fri Nov 04, 2005 10:59 am

1 Replies

4781 Views

Last post by xianghjun
Sun Nov 26, 2006 9:27 pm

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