Using VASP

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about the INCAR

Last post by Alenushka « Tue Feb 06, 2007 1:43 pm
Replies: 6
by Jiaye Li » Sat Jan 20, 2007 2:32 am

6 Replies

5482 Views

Last post by Alenushka
Tue Feb 06, 2007 1:43 pm
how to calculate the number of electron of an adsorbed atom?

Last post by admin « Tue Feb 06, 2007 9:57 am

by admin » Tue Feb 06, 2007 9:57 am

0 Replies

2263 Views

Last post by admin
Tue Feb 06, 2007 9:57 am
DOS at certain temperature.

Last post by admin « Tue Feb 06, 2007 9:23 am
Replies: 1
by applelinux » Sun Jan 28, 2007 10:34 pm

1 Replies

2557 Views

Last post by admin
Tue Feb 06, 2007 9:23 am
Question about LDA + U calculation

Last post by admin « Thu Feb 01, 2007 7:26 am
Replies: 1
by Rommy » Tue Jan 30, 2007 9:43 pm

1 Replies

2646 Views

Last post by admin
Thu Feb 01, 2007 7:26 am
Negative DOS

Last post by kamala « Tue Jan 30, 2007 9:46 am
Replies: 2
by kamala » Mon Jan 29, 2007 11:03 am

2 Replies

3866 Views

Last post by kamala
Tue Jan 30, 2007 9:46 am
The error in total energy calculation

Last post by avan « Tue Jan 30, 2007 5:24 am
Replies: 2
by xhp » Thu Jan 25, 2007 1:40 pm

2 Replies

4323 Views

Last post by avan
Tue Jan 30, 2007 5:24 am
surface states

Last post by admin « Mon Jan 29, 2007 2:17 pm
Replies: 1
by bentmann » Thu Jan 25, 2007 8:39 pm

1 Replies

2656 Views

Last post by admin
Mon Jan 29, 2007 2:17 pm
Relaxation

Last post by admin « Mon Jan 29, 2007 2:14 pm
Replies: 1
by pmignon » Wed Jan 24, 2007 1:11 pm

1 Replies

2727 Views

Last post by admin
Mon Jan 29, 2007 2:14 pm
Zero Volume Error

Last post by darkad « Mon Jan 29, 2007 4:50 am
Replies: 3
by darkad » Wed Jan 24, 2007 7:33 am

3 Replies

4405 Views

Last post by darkad
Mon Jan 29, 2007 4:50 am
NPT in VASP 5?

Last post by admin « Wed Jan 24, 2007 1:05 pm
Replies: 1
by tjf » Fri Jan 19, 2007 10:29 pm

1 Replies

3164 Views

Last post by admin
Wed Jan 24, 2007 1:05 pm
How to calculate the electron transport properties?

Last post by admin « Wed Jan 24, 2007 1:04 pm

by admin » Wed Jan 24, 2007 1:04 pm

0 Replies

3430 Views

Last post by admin
Wed Jan 24, 2007 1:04 pm
Relax first layer of atoms only

Last post by suchi « Wed Jan 24, 2007 12:14 pm
Replies: 2
by suchi » Wed Jan 24, 2007 11:43 am

2 Replies

2891 Views

Last post by suchi
Wed Jan 24, 2007 12:14 pm
[help] relax of hp structure

Last post by admin « Mon Jan 22, 2007 12:46 pm
Replies: 2
by admin » Thu Jan 18, 2007 10:34 am

2 Replies

2975 Views

Last post by admin
Mon Jan 22, 2007 12:46 pm
Static calculation with Selective dynamics switched on.

Last post by admin « Mon Jan 22, 2007 12:23 pm
Replies: 1
by Danny » Fri Jan 19, 2007 2:16 pm

1 Replies

2474 Views

Last post by admin
Mon Jan 22, 2007 12:23 pm
symmetrically equivalent structures have different energies

Last post by scerwin « Fri Jan 19, 2007 7:57 pm
Replies: 2
by admin » Fri Jan 12, 2007 2:46 pm

2 Replies

3221 Views

Last post by scerwin
Fri Jan 19, 2007 7:57 pm
Site-projected DOS

Last post by scerwin « Fri Jan 19, 2007 6:28 pm
Replies: 1
by zhuanghl » Thu Jan 18, 2007 10:53 am

1 Replies

2666 Views

Last post by scerwin
Fri Jan 19, 2007 6:28 pm
TST calculation

Last post by dido « Fri Jan 19, 2007 5:17 pm
Replies: 1
by dido » Fri Jan 19, 2007 4:07 pm

1 Replies

2561 Views

Last post by dido
Fri Jan 19, 2007 5:17 pm
about restarting the work

Last post by tjf « Fri Jan 19, 2007 4:54 pm
Replies: 3
by zhuanghl » Thu Jan 18, 2007 10:50 am

3 Replies

3211 Views

Last post by tjf
Fri Jan 19, 2007 4:54 pm
determinant error in Berry Phase calculation

Last post by okuno « Wed Jan 17, 2007 12:01 pm
Replies: 2
by okuno » Wed Jan 17, 2007 3:25 am

2 Replies

3554 Views

Last post by okuno
Wed Jan 17, 2007 12:01 pm
Geometry optimization

Last post by tjf « Wed Jan 17, 2007 11:15 am
Replies: 1
by VitOldy » Wed Jan 17, 2007 6:45 am

1 Replies

3181 Views

Last post by tjf
Wed Jan 17, 2007 11:15 am

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