Using VASP

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vasprun.xml

Last post by Veronika « Mon Feb 27, 2006 8:53 am
Replies: 1
by hacret » Mon Feb 27, 2006 6:25 am

1 Replies

9150 Views

Last post by Veronika
Mon Feb 27, 2006 8:53 am
converging condition

Last post by lmiao « Fri Feb 24, 2006 7:42 pm
Replies: 4
by lmiao » Tue Feb 21, 2006 11:17 pm

4 Replies

14019 Views

Last post by lmiao
Fri Feb 24, 2006 7:42 pm
how do I know the energy of an individual atom in a bulk alloy system?

Last post by hyon-jee « Fri Feb 24, 2006 5:34 pm
Replies: 2
by hyon-jee » Thu Feb 23, 2006 12:42 am

2 Replies

10087 Views

Last post by hyon-jee
Fri Feb 24, 2006 5:34 pm
how do I calculate the Hessian in vasp.4.6.26?

Last post by admin « Fri Feb 24, 2006 1:03 pm
Replies: 1
by rgetman » Thu Feb 23, 2006 12:37 pm

1 Replies

8516 Views

Last post by admin
Fri Feb 24, 2006 1:03 pm
why VASP doesn't give a better adsorption energy

Last post by admin « Fri Feb 24, 2006 12:49 pm
Replies: 1
by des » Wed Feb 22, 2006 7:00 pm

1 Replies

8724 Views

Last post by admin
Fri Feb 24, 2006 12:49 pm
MAGMOM-tag

Last post by fabella « Wed Feb 22, 2006 3:29 am
Replies: 2
by fabella » Tue Feb 21, 2006 4:00 am

2 Replies

16491 Views

Last post by fabella
Wed Feb 22, 2006 3:29 am
NVT molecular dynamics (T fluctuations)

Last post by admin « Tue Feb 21, 2006 11:18 am
Replies: 1
by jcarrasco » Mon Feb 20, 2006 7:49 pm

1 Replies

11751 Views

Last post by admin
Tue Feb 21, 2006 11:18 am
Dipole moments- confirm?

Last post by admin « Tue Feb 21, 2006 10:55 am
Replies: 1
by neeti » Tue Feb 21, 2006 12:56 am

1 Replies

9454 Views

Last post by admin
Tue Feb 21, 2006 10:55 am
EOS and high cutoff for systems with H atoms

Last post by admin « Mon Feb 20, 2006 1:39 pm
Replies: 1
by lawson » Sun Feb 19, 2006 2:04 am

1 Replies

9388 Views

Last post by admin
Mon Feb 20, 2006 1:39 pm
How to apply the external pressure?

Last post by Veronika « Mon Feb 20, 2006 8:39 am
Replies: 1
by zhuanghl » Sun Feb 19, 2006 2:39 pm

1 Replies

8851 Views

Last post by Veronika
Mon Feb 20, 2006 8:39 am
What does it mean?

Last post by admin « Fri Feb 17, 2006 10:34 am
Replies: 1
by zhuanghl » Thu Feb 16, 2006 10:33 am

1 Replies

8614 Views

Last post by admin
Fri Feb 17, 2006 10:34 am
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

13766 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

19588 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

8415 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

12904 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

8942 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

14322 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

13821 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

8829 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

13292 Views

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

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