Using VASP

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Comparing band structures of the clean surface and the Molecule+Surface

Last post by admin « Thu Mar 18, 2010 12:25 pm
Replies: 4
by Oscar_rp » Tue Jan 12, 2010 1:51 pm

4 Replies

1970 Views

Last post by admin
Thu Mar 18, 2010 12:25 pm
smearing and the energy

Last post by admin « Thu Mar 18, 2010 12:21 pm
Replies: 4
by konglt » Wed Sep 21, 2005 5:53 pm

4 Replies

2633 Views

Last post by admin
Thu Mar 18, 2010 12:21 pm
DOS problem

Last post by Danny « Wed Mar 17, 2010 9:18 am
Replies: 3
by zhu » Thu Mar 11, 2010 4:52 am

3 Replies

2300 Views

Last post by Danny
Wed Mar 17, 2010 9:18 am
How to add both Ud and Uf during my calculation with Medea Vasp?

Last post by liuhuimeiwoo « Wed Mar 17, 2010 8:24 am
Replies: 2
by liuhuimeiwoo » Fri Feb 26, 2010 3:16 am

2 Replies

1882 Views

Last post by liuhuimeiwoo
Wed Mar 17, 2010 8:24 am
modelling +ve charged ions

Last post by admin « Tue Mar 16, 2010 3:57 pm
Replies: 1
by TAT » Fri Mar 12, 2010 4:23 am

1 Replies

1495 Views

Last post by admin
Tue Mar 16, 2010 3:57 pm
Band decomposed charge density

Last post by saubanere « Mon Mar 15, 2010 8:06 pm
Replies: 2
by saubanere » Thu Mar 11, 2010 2:51 pm

2 Replies

2375 Views

Last post by saubanere
Mon Mar 15, 2010 8:06 pm
Error Message

Last post by jjkim « Sun Mar 14, 2010 7:16 pm
Replies: 2
by jjkim » Mon Mar 08, 2010 2:18 am

2 Replies

1611 Views

Last post by jjkim
Sun Mar 14, 2010 7:16 pm
SIGMA and DOS calculation

Last post by hn19870519 « Sun Mar 14, 2010 12:57 am
Replies: 2
by hn19870519 » Tue Mar 09, 2010 1:56 pm

2 Replies

1736 Views

Last post by hn19870519
Sun Mar 14, 2010 12:57 am
Courses or workshops offered? If not, potential resource exchange...

Last post by admin « Fri Mar 12, 2010 10:00 am
Replies: 1
by kristen » Tue Mar 09, 2010 4:35 am

1 Replies

1494 Views

Last post by admin
Fri Mar 12, 2010 10:00 am
Energy minima vs Pressure minima

Last post by admin « Fri Mar 12, 2010 9:49 am
Replies: 3
by rpf » Thu Mar 11, 2010 9:19 am

3 Replies

1410 Views

Last post by admin
Fri Mar 12, 2010 9:49 am
the heating rate in molecular dynamics

Last post by admin « Thu Mar 11, 2010 4:21 pm
Replies: 1
by fegg7502 » Thu Mar 11, 2010 9:46 am

1 Replies

1420 Views

Last post by admin
Thu Mar 11, 2010 4:21 pm
Fixing magnetic moment on each atom in a noncollinear magnetic calculation

Last post by forsdan « Wed Mar 10, 2010 6:35 pm
Replies: 1
by prithwish » Tue Mar 09, 2010 12:32 pm

1 Replies

3054 Views

Last post by forsdan
Wed Mar 10, 2010 6:35 pm
question on the method for smoothed DOS data

Last post by Danny « Mon Mar 08, 2010 11:14 am
Replies: 2
by luke419 » Tue Feb 16, 2010 8:05 am

2 Replies

3045 Views

Last post by Danny
Mon Mar 08, 2010 11:14 am
questions on DOS for semiconductor or insulator

Last post by admin « Fri Mar 05, 2010 8:47 pm
Replies: 1
by luke419 » Mon Feb 22, 2010 2:03 am

1 Replies

1504 Views

Last post by admin
Fri Mar 05, 2010 8:47 pm
When I use the hybrid HSE or PBE0, Should I must use the PBE pseudopotentials?

Last post by admin « Fri Mar 05, 2010 8:38 pm
Replies: 1
by huangdan » Thu Feb 25, 2010 3:17 am

1 Replies

2011 Views

Last post by admin
Fri Mar 05, 2010 8:38 pm
lattice constant problem

Last post by admin « Fri Mar 05, 2010 8:29 pm
Replies: 6
by hehui » Tue Apr 18, 2006 7:05 am

6 Replies

4146 Views

Last post by admin
Fri Mar 05, 2010 8:29 pm
where is the module 'prec'

Last post by admin « Fri Mar 05, 2010 8:25 pm
Replies: 2
by zhuanghl » Sat Feb 27, 2010 6:35 pm

2 Replies

1803 Views

Last post by admin
Fri Mar 05, 2010 8:25 pm
How can I do my HSE-hybrid calculation?

Last post by admin « Fri Mar 05, 2010 8:24 pm
Replies: 1
by huangdan » Wed Mar 03, 2010 7:35 pm

1 Replies

2013 Views

Last post by admin
Fri Mar 05, 2010 8:24 pm
HF convergence problem

Last post by wcwang « Fri Mar 05, 2010 4:43 pm
Replies: 5
by wcwang » Sun Feb 28, 2010 7:37 pm

5 Replies

2681 Views

Last post by wcwang
Fri Mar 05, 2010 4:43 pm
ZnO polar surfaces

Last post by giacomo giorgi « Fri Mar 05, 2010 1:27 am
Replies: 3
by giacomo giorgi » Fri Feb 26, 2010 10:18 am

3 Replies

2586 Views

Last post by giacomo giorgi
Fri Mar 05, 2010 1:27 am

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