Using VASP

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Spin Polarized Band Structure

Last post by Veronika « Mon Apr 03, 2006 9:01 am
Replies: 1
by stucke » Sun Apr 02, 2006 11:07 pm

1 Replies

3888 Views

Last post by Veronika
Mon Apr 03, 2006 9:01 am
Adsorbate induced electric field

Last post by mhyman « Fri Mar 31, 2006 4:45 pm
Replies: 2
by mhyman » Thu Mar 30, 2006 9:22 pm

2 Replies

4697 Views

Last post by mhyman
Fri Mar 31, 2006 4:45 pm
ionic convergence problem

Last post by peterklaver « Fri Mar 31, 2006 11:08 am
Replies: 1
by peterklaver » Wed Mar 08, 2006 1:44 pm

1 Replies

4668 Views

Last post by peterklaver
Fri Mar 31, 2006 11:08 am
Non-SCF Calculation

Last post by admin « Tue Mar 28, 2006 10:47 am
Replies: 4
by aarondesk » Wed Mar 08, 2006 5:09 pm

4 Replies

8494 Views

Last post by admin
Tue Mar 28, 2006 10:47 am
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

6932 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

8270 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

6087 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

6752 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

5110 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

5063 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

7221 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

4102 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

7290 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

5894 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

4611 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

4686 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

5091 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

10068 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

7239 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

8671 Views

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

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