Using VASP

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HSE06 energy correction

Last post by sankh « Tue Jan 18, 2011 5:10 am
Replies: 1
by pramanikanup » Mon Dec 27, 2010 7:51 am

1 Replies

5036 Views

Last post by sankh
Tue Jan 18, 2011 5:10 am
How to specify hcp cell of three-component system in wien2k?

Last post by Moonrain « Mon Jan 17, 2011 10:26 am
Replies: 4
by Moonrain » Tue Jan 11, 2011 10:27 am

4 Replies

4847 Views

Last post by Moonrain
Mon Jan 17, 2011 10:26 am
GW0 and GW with vasp5.2.2

Last post by Vahid Askarpour « Sun Jan 16, 2011 1:27 pm
Replies: 2
by Vahid Askarpour » Mon Jan 10, 2011 1:09 am

2 Replies

5444 Views

Last post by Vahid Askarpour
Sun Jan 16, 2011 1:27 pm
ismear=-5 in one-dimensional system

Last post by huangpengru « Thu Jan 13, 2011 6:12 pm
Replies: 1
by xinhuanwen » Fri Jan 07, 2011 1:04 am

1 Replies

3533 Views

Last post by huangpengru
Thu Jan 13, 2011 6:12 pm
Selective dynamics in phonon calculation

Last post by alex « Tue Jan 11, 2011 3:02 pm
Replies: 1
by njuxyh » Tue Jan 11, 2011 8:38 am

1 Replies

3634 Views

Last post by alex
Tue Jan 11, 2011 3:02 pm
A question always puzzle me .What's the matter?

Last post by alex « Tue Jan 11, 2011 7:46 am
Replies: 1
by VASP001 » Mon Jan 10, 2011 10:13 am

1 Replies

3575 Views

Last post by alex
Tue Jan 11, 2011 7:46 am
inversion symmetry of k-points

Last post by sharma « Tue Jan 11, 2011 3:32 am
Replies: 1
by neo » Sat Sep 25, 2010 5:28 pm

1 Replies

4406 Views

Last post by sharma
Tue Jan 11, 2011 3:32 am
Band structure using HSE functional

Last post by zoowe « Sat Jan 08, 2011 6:37 pm
Replies: 1
by vidyar » Wed Jan 05, 2011 10:06 am

1 Replies

4378 Views

Last post by zoowe
Sat Jan 08, 2011 6:37 pm
DOSCAR with Efield

Last post by yuxiao_zihan « Fri Jan 07, 2011 11:06 pm
Replies: 1
by yuxiao_zihan » Mon Jan 03, 2011 5:27 pm

1 Replies

3233 Views

Last post by yuxiao_zihan
Fri Jan 07, 2011 11:06 pm
Basis set for Curium (Cm)

Last post by Robert « Thu Jan 06, 2011 11:00 am
Replies: 2
by Robert » Tue Dec 21, 2010 9:25 am

2 Replies

3465 Views

Last post by Robert
Thu Jan 06, 2011 11:00 am
Core-level shifts - frozen or relaxed core

Last post by alex « Thu Jan 06, 2011 10:38 am
Replies: 3
by Wasabi » Tue Jan 04, 2011 4:57 pm

3 Replies

5424 Views

Last post by alex
Thu Jan 06, 2011 10:38 am
spin-separate calculation

Last post by superyoyo « Thu Jan 06, 2011 7:07 am
Replies: 2
by Kertick » Mon Mar 06, 2006 12:38 am

2 Replies

4991 Views

Last post by superyoyo
Thu Jan 06, 2011 7:07 am
How to calculate the ionic dielectric constants?

Last post by zhongshanluo « Thu Jan 06, 2011 3:38 am
Replies: 1
by zhongshanluo » Mon Nov 29, 2010 4:13 am

1 Replies

3343 Views

Last post by zhongshanluo
Thu Jan 06, 2011 3:38 am
Continuation of a line in INCAR

Last post by forsdan « Wed Jan 05, 2011 7:55 pm
Replies: 1
by leostorm10 » Tue Jan 04, 2011 7:23 am

1 Replies

3960 Views

Last post by forsdan
Wed Jan 05, 2011 7:55 pm
EFIELD and problem with convergence

Last post by spakinfo « Thu Dec 30, 2010 6:18 pm
Replies: 2
by spakinfo » Wed Dec 15, 2010 8:38 pm

2 Replies

4924 Views

Last post by spakinfo
Thu Dec 30, 2010 6:18 pm
scalar relativistic calculation

Last post by admin « Thu Dec 30, 2010 1:41 pm
Replies: 1
by torehan » Thu Dec 16, 2010 11:56 pm

1 Replies

3431 Views

Last post by admin
Thu Dec 30, 2010 1:41 pm
The meaning of the relative location of the Fermi energy.

Last post by admin « Thu Dec 30, 2010 1:25 pm
Replies: 3
by cyc99 » Mon Nov 15, 2010 4:55 am

3 Replies

5015 Views

Last post by admin
Thu Dec 30, 2010 1:25 pm
what dose â€˜tagâ€™ mean，behinding the parameters of INCAR file

Last post by Sonny « Tue Dec 28, 2010 11:39 am
Replies: 5
by dyc_2008 » Mon Oct 11, 2010 12:42 am

5 Replies

6168 Views

Last post by Sonny
Tue Dec 28, 2010 11:39 am
OUTCAR question

Last post by hansonr « Mon Dec 27, 2010 5:17 pm
Replies: 3
by hansonr » Thu Nov 04, 2010 6:23 pm

3 Replies

6644 Views

Last post by hansonr
Mon Dec 27, 2010 5:17 pm
Weights

Last post by admin « Mon Dec 27, 2010 4:26 pm
Replies: 1
by apple » Mon Nov 15, 2010 12:38 am

1 Replies

3370 Views

Last post by admin
Mon Dec 27, 2010 4:26 pm

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