Using VASP

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Charge on the dangling bonds

Last post by admin « Tue Feb 07, 2006 11:29 am
Replies: 3
by des » Mon Jan 23, 2006 11:11 pm

3 Replies

12751 Views

Last post by admin
Tue Feb 07, 2006 11:29 am
"direct" fractional coordinates

Last post by fabella « Fri Feb 03, 2006 6:04 pm
Replies: 2
by fabella » Fri Feb 03, 2006 6:59 am

2 Replies

18365 Views

Last post by fabella
Fri Feb 03, 2006 6:04 pm
What do the two values for a phase factor mean?

Last post by jlrch « Thu Feb 02, 2006 6:07 pm
Replies: 3
by jlrch » Thu Feb 02, 2006 10:28 am

3 Replies

12605 Views

Last post by jlrch
Thu Feb 02, 2006 6:07 pm
Why symmetry constrain fails for ionic relaxation

Last post by Veronika « Thu Feb 02, 2006 1:02 pm
Replies: 4
by gabral » Tue Jan 31, 2006 12:15 pm

4 Replies

16176 Views

Last post by Veronika
Thu Feb 02, 2006 1:02 pm
ALGO-tag

Last post by admin « Mon Jan 30, 2006 2:40 pm
Replies: 3
by Tyx » Fri Jan 27, 2006 4:42 pm

3 Replies

14085 Views

Last post by admin
Mon Jan 30, 2006 2:40 pm
WARNING: stress and forces are not correct

Last post by admin « Thu Jan 26, 2006 2:53 pm
Replies: 1
by Damien » Mon Jan 23, 2006 12:18 pm

1 Replies

14825 Views

Last post by admin
Thu Jan 26, 2006 2:53 pm
Calculations apparently is hanging

Last post by admin « Thu Jan 26, 2006 2:31 pm
Replies: 11
by Rad Balu » Tue Jan 03, 2006 12:10 am

11 Replies

38283 Views

Last post by admin
Thu Jan 26, 2006 2:31 pm
application to nano tubes

Last post by Damien « Wed Jan 25, 2006 1:22 pm
Replies: 4
by saurabhroy » Wed Dec 28, 2005 7:43 pm

4 Replies

15638 Views

Last post by Damien
Wed Jan 25, 2006 1:22 pm
calculating migration barrier energy using selective dynamics

Last post by tjf « Mon Jan 23, 2006 9:30 pm
Replies: 4
by hyon-jee » Thu Jan 19, 2006 11:25 pm

4 Replies

18034 Views

Last post by tjf
Mon Jan 23, 2006 9:30 pm
IBRION=2

Last post by tjf « Sun Jan 22, 2006 12:26 pm
Replies: 5
by fabella » Thu Jan 19, 2006 6:16 pm

5 Replies

20424 Views

Last post by tjf
Sun Jan 22, 2006 12:26 pm
About"WARNING: wrap around errors must be expected"

Last post by Tyx « Fri Jan 20, 2006 11:48 am
Replies: 3
by zhuanghl » Tue Jan 03, 2006 9:31 am

3 Replies

20334 Views

Last post by Tyx
Fri Jan 20, 2006 11:48 am
SIGMA effect on the total energy

Last post by admin « Wed Jan 18, 2006 2:42 pm
Replies: 1
by zhuanghl » Wed Jan 11, 2006 1:15 pm

1 Replies

12362 Views

Last post by admin
Wed Jan 18, 2006 2:42 pm
calcs on 4f-transition metals

Last post by admin « Wed Jan 18, 2006 10:52 am
Replies: 1
by Tiger-paw » Tue Jan 17, 2006 11:16 pm

1 Replies

10142 Views

Last post by admin
Wed Jan 18, 2006 10:52 am
about "external pressure"

Last post by admin « Tue Jan 17, 2006 11:29 am
Replies: 1
by zhuanghl » Sun Jan 01, 2006 9:04 am

1 Replies

10954 Views

Last post by admin
Tue Jan 17, 2006 11:29 am
What does it mean?

Last post by admin « Mon Jan 16, 2006 1:45 pm
Replies: 1
by zhuanghl » Thu Jan 12, 2006 12:38 pm

1 Replies

10151 Views

Last post by admin
Mon Jan 16, 2006 1:45 pm
magnetization density of overlapping atoms calculated

Last post by admin « Mon Jan 16, 2006 1:21 pm
Replies: 1
by hyon-jee » Fri Jan 13, 2006 12:55 am

1 Replies

12482 Views

Last post by admin
Mon Jan 16, 2006 1:21 pm
No convergence with Pr

Last post by tjf « Thu Jan 12, 2006 11:06 am
Replies: 1
by tjf » Tue Jan 10, 2006 3:19 pm

1 Replies

11166 Views

Last post by tjf
Thu Jan 12, 2006 11:06 am
Real space projector?

Last post by fabella « Tue Jan 10, 2006 5:15 pm
Replies: 2
by fabella » Mon Jan 09, 2006 10:03 pm

2 Replies

15222 Views

Last post by fabella
Tue Jan 10, 2006 5:15 pm
Dealing with the unconverged problem

Last post by admin « Tue Jan 10, 2006 10:15 am
Replies: 2
by zhuanghl » Fri Jan 06, 2006 6:25 pm

2 Replies

14977 Views

Last post by admin
Tue Jan 10, 2006 10:15 am
Meta GGA

Last post by admin « Tue Jan 10, 2006 8:34 am
Replies: 1
by bruent » Mon Jan 09, 2006 7:10 am

1 Replies

12312 Views

Last post by admin
Tue Jan 10, 2006 8:34 am

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