Using VASP

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equilibrium geometry - convergence

Last post by admin « Tue Mar 28, 2006 9:43 am
Replies: 3
by fabella » Mon Mar 06, 2006 6:41 pm

3 Replies

6905 Views

Last post by admin
Tue Mar 28, 2006 9:43 am
symmetry change upon ISIF=3

Last post by admin « Tue Mar 28, 2006 9:38 am
Replies: 5
by brsahu » Thu Mar 02, 2006 7:37 pm

5 Replies

8230 Views

Last post by admin
Tue Mar 28, 2006 9:38 am
surface scattering

Last post by phtobias « Sat Mar 25, 2006 3:49 pm
Replies: 5
by phtobias » Fri Mar 17, 2006 1:36 pm

5 Replies

6052 Views

Last post by phtobias
Sat Mar 25, 2006 3:49 pm
zero point energy

Last post by hlzya « Sat Mar 25, 2006 12:16 pm
Replies: 2
by hlzya » Tue Mar 21, 2006 2:16 am

2 Replies

6725 Views

Last post by hlzya
Sat Mar 25, 2006 12:16 pm
DOS to light absorption spectra

Last post by phtobias « Tue Mar 21, 2006 12:52 pm
Replies: 2
by phtobias » Fri Mar 17, 2006 1:30 pm

2 Replies

5085 Views

Last post by phtobias
Tue Mar 21, 2006 12:52 pm
Energy of a charged bulk system

Last post by admin « Mon Mar 20, 2006 2:33 pm
Replies: 1
by Mahesh_chandran » Thu Mar 16, 2006 11:07 am

1 Replies

5044 Views

Last post by admin
Mon Mar 20, 2006 2:33 pm
Scissor operator

Last post by admin « Mon Mar 20, 2006 1:02 pm
Replies: 1
by kefren » Fri Mar 10, 2006 4:32 pm

1 Replies

7193 Views

Last post by admin
Mon Mar 20, 2006 1:02 pm
Bandstructure plotting

Last post by okuno « Wed Mar 15, 2006 5:14 am
Replies: 1
by atreyee » Wed Mar 15, 2006 3:22 am

1 Replies

4085 Views

Last post by okuno
Wed Mar 15, 2006 5:14 am
Symmetry for IBRION=5

Last post by aarondesk « Mon Mar 13, 2006 9:49 pm
Replies: 5
by wdv » Fri Mar 10, 2006 1:10 am

5 Replies

7259 Views

Last post by aarondesk
Mon Mar 13, 2006 9:49 pm
drift force

Last post by anagaw « Fri Mar 10, 2006 6:39 am
Replies: 2
by edurgun » Tue Feb 28, 2006 2:34 pm

2 Replies

5876 Views

Last post by anagaw
Fri Mar 10, 2006 6:39 am
How to set NSW tag in MD calculation?

Last post by zhuanghl « Thu Mar 09, 2006 2:21 pm
Replies: 2
by zhuanghl » Thu Mar 02, 2006 1:47 pm

2 Replies

4589 Views

Last post by zhuanghl
Thu Mar 09, 2006 2:21 pm
lm decomposed DOS

Last post by admin « Thu Mar 09, 2006 2:18 pm
Replies: 1
by sf » Thu Mar 09, 2006 1:40 pm

1 Replies

4673 Views

Last post by admin
Thu Mar 09, 2006 2:18 pm
Dipole Corrections

Last post by admin « Thu Mar 09, 2006 10:37 am
Replies: 1
by yilmaz » Wed Mar 01, 2006 7:07 pm

1 Replies

5076 Views

Last post by admin
Thu Mar 09, 2006 10:37 am
how to apply external stress along one direction?

Last post by admin « Wed Mar 01, 2006 10:52 am
Replies: 6
by Giblee » Wed Feb 22, 2006 7:34 pm

6 Replies

10031 Views

Last post by admin
Wed Mar 01, 2006 10:52 am
2 dimensional calculation

Last post by admin « Wed Mar 01, 2006 10:13 am
Replies: 4
by acharyachethan » Tue Feb 28, 2006 5:50 am

4 Replies

7218 Views

Last post by admin
Wed Mar 01, 2006 10:13 am
dipole moment in VASP

Last post by bossten « Mon Feb 27, 2006 9:51 am
Replies: 2
by bossten » Fri Feb 24, 2006 7:13 am

2 Replies

8646 Views

Last post by bossten
Mon Feb 27, 2006 9:51 am
vasprun.xml

Last post by Veronika « Mon Feb 27, 2006 8:53 am
Replies: 1
by hacret » Mon Feb 27, 2006 6:25 am

1 Replies

4812 Views

Last post by Veronika
Mon Feb 27, 2006 8:53 am
converging condition

Last post by lmiao « Fri Feb 24, 2006 7:42 pm
Replies: 4
by lmiao » Tue Feb 21, 2006 11:17 pm

4 Replies

6127 Views

Last post by lmiao
Fri Feb 24, 2006 7:42 pm
how do I know the energy of an individual atom in a bulk alloy system?

Last post by hyon-jee « Fri Feb 24, 2006 5:34 pm
Replies: 2
by hyon-jee » Thu Feb 23, 2006 12:42 am

2 Replies

4677 Views

Last post by hyon-jee
Fri Feb 24, 2006 5:34 pm
how do I calculate the Hessian in vasp.4.6.26?

Last post by admin « Fri Feb 24, 2006 1:03 pm
Replies: 1
by rgetman » Thu Feb 23, 2006 12:37 pm

1 Replies

4042 Views

Last post by admin
Fri Feb 24, 2006 1:03 pm

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