Using VASP

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Charge Ordering Calculation

Last post by admin « Tue Jun 19, 2007 10:52 am
Replies: 1
by zhichengzhong » Mon Jun 18, 2007 11:17 am

1 Replies

3561 Views

Last post by admin
Tue Jun 19, 2007 10:52 am
problem for a large molecular system

Last post by tlchan « Mon Jun 18, 2007 9:42 pm
Replies: 1
by jjhskang » Sat Jun 16, 2007 1:19 am

1 Replies

3375 Views

Last post by tlchan
Mon Jun 18, 2007 9:42 pm
DENFER

Last post by admin « Fri Jun 15, 2007 12:12 pm
Replies: 1
by rudra-b » Sat Jun 09, 2007 5:22 pm

1 Replies

3379 Views

Last post by admin
Fri Jun 15, 2007 12:12 pm
efield units

Last post by admin « Fri Jun 15, 2007 12:00 pm
Replies: 1
by sys » Wed Jun 13, 2007 11:21 am

1 Replies

3322 Views

Last post by admin
Fri Jun 15, 2007 12:00 pm
about calculation of defect

Last post by admin « Fri Jun 15, 2007 11:52 am
Replies: 3
by lanjh » Wed Jun 13, 2007 12:07 am

3 Replies

4598 Views

Last post by admin
Fri Jun 15, 2007 11:52 am
Imaginary frequency

Last post by admin « Fri Jun 15, 2007 11:50 am
Replies: 1
by kca002 » Fri Jun 15, 2007 3:34 am

1 Replies

3939 Views

Last post by admin
Fri Jun 15, 2007 11:50 am
locpot not created

Last post by admin « Fri Jun 15, 2007 11:48 am
Replies: 1
by ashinde » Thu Jun 14, 2007 6:01 pm

1 Replies

3605 Views

Last post by admin
Fri Jun 15, 2007 11:48 am
fortran error

Last post by admin « Fri Jun 15, 2007 11:44 am
Replies: 1
by rudra-b » Thu Jun 14, 2007 2:02 pm

1 Replies

3517 Views

Last post by admin
Fri Jun 15, 2007 11:44 am
Fixed magnetic moment

Last post by admin « Fri Jun 15, 2007 11:29 am
Replies: 3
by jlrch » Tue Jun 05, 2007 5:23 pm

3 Replies

6361 Views

Last post by admin
Fri Jun 15, 2007 11:29 am
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

4694 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

8762 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

3194 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

3872 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

5629 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

4495 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

4228 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

3826 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

4279 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

4629 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

7480 Views

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

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