Using VASP

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about DIPOL flag in Berry's phase calculations

Last post by admin « Mon Feb 12, 2007 2:11 pm
Replies: 2
by brocks » Sun Feb 04, 2007 9:24 am

2 Replies

6611 Views

Last post by admin
Mon Feb 12, 2007 2:11 pm
How to simulate the existance of external electric field

Last post by admin « Mon Feb 12, 2007 2:01 pm
Replies: 1
by nus11 » Thu Feb 08, 2007 2:58 am

1 Replies

5091 Views

Last post by admin
Mon Feb 12, 2007 2:01 pm
meta-GGA

Last post by admin « Mon Feb 12, 2007 1:49 pm
Replies: 1
by vaspfan » Mon Feb 05, 2007 10:17 am

1 Replies

5612 Views

Last post by admin
Mon Feb 12, 2007 1:49 pm
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

11327 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

4309 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

5146 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

5251 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

7448 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

7859 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

5366 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

5428 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

8397 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

5797 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

5468 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

6145 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

5975 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

5311 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

6220 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

5468 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

5248 Views

Last post by dido
Fri Jan 19, 2007 5:17 pm

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