Using VASP

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how to avoid "WARNING " in relaxation

Last post by dtrinkle « Sat Mar 03, 2007 12:15 am
Replies: 1
by kanhere » Tue Feb 27, 2007 4:21 pm

1 Replies

6302 Views

Last post by dtrinkle
Sat Mar 03, 2007 12:15 am
How to set the DIRECTION of an external electric field in VASP?

Last post by salva « Mon Feb 19, 2007 2:29 pm
Replies: 2
by salva » Tue Feb 06, 2007 3:30 pm

2 Replies

5853 Views

Last post by salva
Mon Feb 19, 2007 2:29 pm
LORBMOM and the total energy

Last post by admin « Wed Feb 14, 2007 2:25 pm
Replies: 1
by bth20 » Fri Feb 02, 2007 7:26 pm

1 Replies

7432 Views

Last post by admin
Wed Feb 14, 2007 2:25 pm
Problem with PDOS, CeO2

Last post by admin « Mon Feb 12, 2007 3:21 pm
Replies: 1
by Rommy » Mon Jan 29, 2007 8:34 pm

1 Replies

5038 Views

Last post by admin
Mon Feb 12, 2007 3:21 pm
wavecar

Last post by admin « Mon Feb 12, 2007 2:28 pm
Replies: 1
by kanhere » Wed Jan 31, 2007 6:56 pm

1 Replies

5417 Views

Last post by admin
Mon Feb 12, 2007 2:28 pm
Units of SMASS

Last post by admin « Mon Feb 12, 2007 2:23 pm
Replies: 1
by sven » Thu Feb 01, 2007 3:16 pm

1 Replies

5126 Views

Last post by admin
Mon Feb 12, 2007 2:23 pm
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

5535 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

4198 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

4704 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

9340 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

3572 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

4262 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

4369 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

6181 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

6690 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

4458 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

4505 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

7116 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

4902 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

4718 Views

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

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