Using VASP

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FERWE syntax

Last post by admin « Mon Dec 27, 2010 4:14 pm
Replies: 1
by Oscar_rp » Tue Nov 16, 2010 12:50 pm

1 Replies

3487 Views

Last post by admin
Mon Dec 27, 2010 4:14 pm
ISMEAR problem in the case of slab model of metal oxide.

Last post by admin « Mon Dec 27, 2010 3:53 pm
Replies: 1
by cyc99 » Mon Nov 15, 2010 4:12 am

1 Replies

3764 Views

Last post by admin
Mon Dec 27, 2010 3:53 pm
Band Gap/Band Structure Calculations

Last post by sankh « Sun Dec 26, 2010 6:37 pm
Replies: 4
by tommy91779 » Tue Aug 26, 2008 3:17 pm

4 Replies

23956 Views

Last post by sankh
Sun Dec 26, 2010 6:37 pm
Why my calculations fail at 20th step

Last post by linpo « Sun Dec 26, 2010 6:33 pm
Replies: 1
by kmkumar » Wed Dec 22, 2010 9:31 am

1 Replies

2981 Views

Last post by linpo
Sun Dec 26, 2010 6:33 pm
band structure calculation using HSE

Last post by spakinfo « Mon Dec 20, 2010 3:01 am
Replies: 1
by haizi » Fri Dec 17, 2010 10:18 pm

1 Replies

4871 Views

Last post by spakinfo
Mon Dec 20, 2010 3:01 am
how to calculate EXX and correlation energy with RPA

Last post by zhuanghl « Fri Dec 17, 2010 7:41 am
Replies: 1
by yuxiao_zihan » Sun Sep 19, 2010 6:57 am

1 Replies

3603 Views

Last post by zhuanghl
Fri Dec 17, 2010 7:41 am
Problem about the softwares plops .

Last post by kirsten « Tue Dec 14, 2010 10:36 am
Replies: 4
by VASP001 » Mon Jun 07, 2010 1:37 am

4 Replies

6173 Views

Last post by kirsten
Tue Dec 14, 2010 10:36 am
PROCAR problem

Last post by physicalattraction « Tue Dec 14, 2010 8:19 am
Replies: 1
by liuhuimeiwoo » Tue Nov 23, 2010 3:02 am

1 Replies

4013 Views

Last post by physicalattraction
Tue Dec 14, 2010 8:19 am
How can we calculate Polarization and vibrational frequency using vasp?

Last post by metosa « Wed Dec 08, 2010 8:19 pm
Replies: 1
by Isha » Tue Dec 07, 2010 12:54 pm

1 Replies

3180 Views

Last post by metosa
Wed Dec 08, 2010 8:19 pm
Germanium's Band Structure

Last post by metosa « Tue Dec 07, 2010 7:18 pm
Replies: 4
by hat343 » Mon Dec 06, 2010 6:23 pm

4 Replies

5990 Views

Last post by metosa
Tue Dec 07, 2010 7:18 pm
Help with the symmetry and type of cell

Last post by alex « Tue Dec 07, 2010 8:47 am
Replies: 1
by kmkumar » Mon Dec 06, 2010 5:14 pm

1 Replies

3559 Views

Last post by alex
Tue Dec 07, 2010 8:47 am
selective optimization of cell vectors

Last post by forsdan « Sat Dec 04, 2010 9:36 pm
Replies: 1
by ashwin » Sat Dec 04, 2010 5:36 pm

1 Replies

7278 Views

Last post by forsdan
Sat Dec 04, 2010 9:36 pm
Simple question about KPOINT grids

Last post by metosa « Fri Dec 03, 2010 2:13 pm
Replies: 1
by discoduck » Fri Dec 03, 2010 10:22 am

1 Replies

2977 Views

Last post by metosa
Fri Dec 03, 2010 2:13 pm
Interlayer distance of bilayer graphene

Last post by dinhloc1984 « Fri Dec 03, 2010 12:47 am
Replies: 2
by dinhloc1984 » Thu Dec 02, 2010 2:29 pm

2 Replies

4780 Views

Last post by dinhloc1984
Fri Dec 03, 2010 12:47 am
Mesh parameter in the KPOINTS - file

Last post by metosa « Thu Dec 02, 2010 3:48 pm
Replies: 1
by serenade25 » Thu Dec 02, 2010 12:56 pm

1 Replies

3244 Views

Last post by metosa
Thu Dec 02, 2010 3:48 pm
About ZHEGV failed

Last post by jlbettis « Mon Nov 29, 2010 5:43 am
Replies: 6
by gabral » Tue Dec 13, 2005 8:17 am

6 Replies

7986 Views

Last post by jlbettis
Mon Nov 29, 2010 5:43 am
GWA in vasp5.2.8

Last post by metosa « Sun Nov 28, 2010 4:47 am
Replies: 5
by sdwang » Sat Nov 20, 2010 11:01 am

5 Replies

5987 Views

Last post by metosa
Sun Nov 28, 2010 4:47 am
VASP GW with Silicon

Last post by tilak « Wed Nov 24, 2010 5:18 pm
Replies: 1
by Redorb » Tue Nov 16, 2010 11:57 pm

1 Replies

4203 Views

Last post by tilak
Wed Nov 24, 2010 5:18 pm
HF calculations: internal error, the gradient is not orthogonal

Last post by wuli8 « Wed Nov 24, 2010 11:24 am
Replies: 1
by koriro » Fri Nov 19, 2010 5:37 am

1 Replies

5726 Views

Last post by wuli8
Wed Nov 24, 2010 11:24 am
Carbon nano tube

Last post by farzaneh « Wed Nov 24, 2010 8:06 am
Replies: 2
by farzaneh » Wed Nov 24, 2010 5:18 am

2 Replies

3295 Views

Last post by farzaneh
Wed Nov 24, 2010 8:06 am

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