Using VASP

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What parameter affect the total energy?

Last post by admin « Fri Feb 17, 2006 10:22 am
Replies: 4
by zhuanghl » Wed Jan 18, 2006 3:37 pm

4 Replies

7082 Views

Last post by admin
Fri Feb 17, 2006 10:22 am
molecule/metal(111)

Last post by admin « Wed Feb 15, 2006 3:10 pm
Replies: 6
by fabella » Mon Feb 13, 2006 3:17 am

6 Replies

10303 Views

Last post by admin
Wed Feb 15, 2006 3:10 pm
Translation vectors

Last post by admin « Tue Feb 14, 2006 1:30 pm
Replies: 1
by acharyachethan » Tue Feb 14, 2006 2:19 am

1 Replies

4671 Views

Last post by admin
Tue Feb 14, 2006 1:30 pm
van der Waals interaction

Last post by Veronika « Mon Feb 13, 2006 7:59 am
Replies: 3
by jlrch » Fri Feb 03, 2006 1:57 pm

3 Replies

6588 Views

Last post by Veronika
Mon Feb 13, 2006 7:59 am
Runtime warning message

Last post by admin « Fri Feb 10, 2006 4:14 pm
Replies: 1
by atreyee » Fri Feb 10, 2006 6:56 am

1 Replies

5212 Views

Last post by admin
Fri Feb 10, 2006 4:14 pm
DOS at Fermi energy

Last post by admin « Thu Feb 09, 2006 9:35 am
Replies: 2
by brsahu » Tue Feb 07, 2006 5:39 pm

2 Replies

9127 Views

Last post by admin
Thu Feb 09, 2006 9:35 am
Where can I get POTCAR of Cerium (lanthanoid elements)

Last post by superyoyo « Tue Feb 07, 2006 4:51 pm
Replies: 3
by superyoyo » Tue Feb 07, 2006 3:24 am

3 Replies

7193 Views

Last post by superyoyo
Tue Feb 07, 2006 4:51 pm
Core levels

Last post by admin « Tue Feb 07, 2006 4:24 pm
Replies: 1
by Tanya » Fri Feb 03, 2006 11:46 am

1 Replies

4793 Views

Last post by admin
Tue Feb 07, 2006 4:24 pm
segmentation fault??

Last post by admin « Tue Feb 07, 2006 11:32 am
Replies: 3
by hacret » Wed Feb 01, 2006 11:58 pm

3 Replies

6890 Views

Last post by admin
Tue Feb 07, 2006 11:32 am
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

6685 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

11322 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

6062 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

8228 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

7099 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

10081 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

21826 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

7977 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

10179 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

11167 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

12530 Views

Last post by Tyx
Fri Jan 20, 2006 11:48 am

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