Using VASP

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How to calculate internal energy of an irregular structure

Last post by fanghz « Mon Jan 12, 2009 1:54 am
Replies: 4
by fanghz » Thu Oct 16, 2008 9:41 am

4 Replies

4660 Views

Last post by fanghz
Mon Jan 12, 2009 1:54 am
pressure unity

Last post by forsdan « Sat Jan 10, 2009 10:38 am
Replies: 1
by rghomari » Sat Jan 10, 2009 12:06 am

1 Replies

3456 Views

Last post by forsdan
Sat Jan 10, 2009 10:38 am
inertia and dipolaire moment of molecule

Last post by admin « Thu Jan 08, 2009 3:29 pm
Replies: 1
by rghomari » Tue Jan 06, 2009 10:19 pm

1 Replies

2486 Views

Last post by admin
Thu Jan 08, 2009 3:29 pm
Infrared intensities for 3D periodic systems

Last post by admin « Thu Jan 08, 2009 3:19 pm
Replies: 1
by alex » Mon Jan 05, 2009 2:10 pm

1 Replies

3387 Views

Last post by admin
Thu Jan 08, 2009 3:19 pm
Spin-orbit coupling

Last post by admin « Thu Jan 08, 2009 2:51 pm
Replies: 1
by chlee » Tue Dec 30, 2008 10:48 pm

1 Replies

2924 Views

Last post by admin
Thu Jan 08, 2009 2:51 pm
band decomposed charge density

Last post by admin « Thu Jan 08, 2009 2:36 pm
Replies: 2
by Kitaura » Sat Dec 27, 2008 4:02 pm

2 Replies

4924 Views

Last post by admin
Thu Jan 08, 2009 2:36 pm
scissors operator?

Last post by admin « Thu Jan 08, 2009 1:27 pm
Replies: 1
by linglin » Tue Dec 23, 2008 12:37 pm

1 Replies

3783 Views

Last post by admin
Thu Jan 08, 2009 1:27 pm
CHARGED CELL CALCULATION

Last post by admin « Thu Jan 08, 2009 1:22 pm
Replies: 1
by asaduzza » Thu Dec 18, 2008 8:03 pm

1 Replies

3618 Views

Last post by admin
Thu Jan 08, 2009 1:22 pm
electronic convergence problem in interface structure

Last post by fatihgsen « Mon Jan 05, 2009 9:05 pm
Replies: 1
by fatihgsen » Sat Jan 03, 2009 10:35 pm

1 Replies

2668 Views

Last post by fatihgsen
Mon Jan 05, 2009 9:05 pm
about "external pressure"

Last post by d-farrell2 « Tue Dec 30, 2008 6:11 pm
Replies: 5
by hehui » Mon Aug 07, 2006 1:22 am

5 Replies

13823 Views

Last post by d-farrell2
Tue Dec 30, 2008 6:11 pm
plotting bandstructure

Last post by liuhongfei « Tue Dec 23, 2008 9:57 am
Replies: 1
by asaaravindh » Tue Dec 23, 2008 6:20 am

1 Replies

3454 Views

Last post by liuhongfei
Tue Dec 23, 2008 9:57 am
detemination of ISMEAR and sigma

Last post by admin « Fri Dec 19, 2008 1:52 pm
Replies: 1
by luke419 » Thu Dec 18, 2008 3:57 am

1 Replies

3714 Views

Last post by admin
Fri Dec 19, 2008 1:52 pm
How accorate for VASP to hadle priodic system?

Last post by admin « Fri Dec 19, 2008 1:39 pm
Replies: 1
by yangsw » Tue Dec 16, 2008 3:30 am

1 Replies

3115 Views

Last post by admin
Fri Dec 19, 2008 1:39 pm
DOSCAR

Last post by admin « Mon Dec 15, 2008 2:22 pm
Replies: 1
by TAT » Mon Dec 15, 2008 2:20 am

1 Replies

3329 Views

Last post by admin
Mon Dec 15, 2008 2:22 pm
Helical spin calculations

Last post by user44 « Mon Dec 15, 2008 2:19 pm
Replies: 1
by jctung » Thu Nov 06, 2008 9:26 am

1 Replies

3558 Views

Last post by user44
Mon Dec 15, 2008 2:19 pm
Explosion of the bulk structure

Last post by admin « Fri Dec 12, 2008 1:39 pm
Replies: 1
by Oscar_rp » Fri Dec 12, 2008 8:08 am

1 Replies

3040 Views

Last post by admin
Fri Dec 12, 2008 1:39 pm
What is the meaning of this?

Last post by TAT « Wed Dec 10, 2008 6:03 am
Replies: 4
by Piney » Tue Nov 14, 2006 3:03 am

4 Replies

6583 Views

Last post by TAT
Wed Dec 10, 2008 6:03 am
Born effective charge tensor

Last post by rudra-b « Tue Dec 02, 2008 6:27 am
Replies: 5
by rudra-b » Tue Nov 18, 2008 6:29 am

5 Replies

7169 Views

Last post by rudra-b
Tue Dec 02, 2008 6:27 am
optics error

Last post by linglin « Tue Dec 02, 2008 1:53 am
Replies: 3
by linglin » Sun Nov 30, 2008 9:45 am

3 Replies

3695 Views

Last post by linglin
Tue Dec 02, 2008 1:53 am
Can we use HSE03 or 06 functional

Last post by admin « Mon Dec 01, 2008 1:43 pm
Replies: 1
by simha » Sat Nov 29, 2008 9:57 pm

1 Replies

4877 Views

Last post by admin
Mon Dec 01, 2008 1:43 pm

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