Using VASP

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How to adjust the densities at different temperatures during MD

Last post by admin « Fri Jun 15, 2007 11:18 am
Replies: 3
by fanghz » Thu May 31, 2007 2:50 pm

3 Replies

6045 Views

Last post by admin
Fri Jun 15, 2007 11:18 am
continuing run for hessian matrix calculation

Last post by jkawasaki « Thu Jun 14, 2007 3:28 pm
Replies: 6
by tlchan » Thu Jan 26, 2006 4:23 pm

6 Replies

10709 Views

Last post by jkawasaki
Thu Jun 14, 2007 3:28 pm
non-zero charge calculation--like (Au)8cluster with 2+ charge

Last post by admin « Wed Jun 06, 2007 7:46 am
Replies: 1
by dido » Mon Jun 04, 2007 2:24 pm

1 Replies

4244 Views

Last post by admin
Wed Jun 06, 2007 7:46 am
Magnetic Field

Last post by admin « Tue Jun 05, 2007 8:56 am
Replies: 1
by jlrch » Mon Jun 04, 2007 2:55 pm

1 Replies

4940 Views

Last post by admin
Tue Jun 05, 2007 8:56 am
convergence problem in big magnetic system

Last post by zhichengzhong « Mon Jun 04, 2007 12:01 pm
Replies: 4
by okuno » Fri May 18, 2007 2:40 am

4 Replies

7264 Views

Last post by zhichengzhong
Mon Jun 04, 2007 12:01 pm
How to find the direction of spin moments in case of a spiral calculation

Last post by xianghjun « Fri Jun 01, 2007 4:21 pm
Replies: 1
by xianghjun » Wed May 30, 2007 1:52 pm

1 Replies

5530 Views

Last post by xianghjun
Fri Jun 01, 2007 4:21 pm
Closed band gap in semiconductors

Last post by grassman « Thu May 31, 2007 5:25 pm
Replies: 1
by pedro » Wed May 30, 2007 1:04 pm

1 Replies

5356 Views

Last post by grassman
Thu May 31, 2007 5:25 pm
How do I calculate electronic transitions

Last post by admin « Thu May 31, 2007 11:35 am
Replies: 1
by stern » Wed May 30, 2007 6:40 pm

1 Replies

5096 Views

Last post by admin
Thu May 31, 2007 11:35 am
is the sum of atomic proyected partial DOS equal to teh total?

Last post by magnones « Thu May 31, 2007 6:25 am
Replies: 2
by magnones » Mon May 21, 2007 4:21 pm

2 Replies

5589 Views

Last post by magnones
Thu May 31, 2007 6:25 am
about calculation of adsorption energy

Last post by lanjh « Wed May 30, 2007 12:23 pm
Replies: 3
by lanjh » Mon May 28, 2007 5:11 am

3 Replies

6125 Views

Last post by lanjh
Wed May 30, 2007 12:23 pm
zbrent:interpolating 出现这样的语句在循环中，结果还是可信的吗？？？

Last post by truemantian « Wed May 30, 2007 1:24 am
Replies: 2
by truemantian » Thu May 24, 2007 11:30 am

2 Replies

8739 Views

Last post by truemantian
Wed May 30, 2007 1:24 am
Partial Charge

Last post by bentmann « Tue May 29, 2007 4:46 pm
Replies: 2
by bentmann » Mon May 28, 2007 8:05 pm

2 Replies

5528 Views

Last post by bentmann
Tue May 29, 2007 4:46 pm
question about free energy

Last post by admin « Tue May 29, 2007 9:40 am
Replies: 1
by Piney » Mon May 28, 2007 1:12 pm

1 Replies

4464 Views

Last post by admin
Tue May 29, 2007 9:40 am
Orbital moment of cobalt oxide

Last post by admin « Fri May 25, 2007 11:57 am
Replies: 1
by zibi » Fri May 11, 2007 5:40 am

1 Replies

6055 Views

Last post by admin
Fri May 25, 2007 11:57 am
EIGENVAL

Last post by admin « Fri May 25, 2007 11:47 am
Replies: 1
by saswata » Tue May 22, 2007 3:57 am

1 Replies

5347 Views

Last post by admin
Fri May 25, 2007 11:47 am
CHGCAR

Last post by admin « Fri May 25, 2007 11:46 am
Replies: 1
by jaisudha » Tue May 22, 2007 5:41 am

1 Replies

4440 Views

Last post by admin
Fri May 25, 2007 11:46 am
can i use odd Monkhorst Pack Kpoint for small supercells

Last post by admin « Wed May 23, 2007 12:56 pm
Replies: 3
by magnones » Thu May 17, 2007 8:34 am

3 Replies

7276 Views

Last post by admin
Wed May 23, 2007 12:56 pm
Calculating Inverse Participation Ratio - Reading WAVECAR

Last post by padilha_ifusp « Sat May 19, 2007 9:23 pm
Replies: 2
by padilha_ifusp » Tue May 15, 2007 3:59 am

2 Replies

7135 Views

Last post by padilha_ifusp
Sat May 19, 2007 9:23 pm
should magetisation always be an integer number?

Last post by hra « Thu May 17, 2007 10:24 pm
Replies: 2
by rgc » Thu Apr 12, 2007 10:11 am

2 Replies

6191 Views

Last post by hra
Thu May 17, 2007 10:24 pm
IONS

Last post by castro « Wed May 16, 2007 2:28 pm
Replies: 2
by castro » Tue Apr 17, 2007 7:57 pm

2 Replies

5236 Views

Last post by castro
Wed May 16, 2007 2:28 pm

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