Using VASP

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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

3945 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

3120 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

5861 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

3483 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

7204 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

2918 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

4699 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

3178 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

7842 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

5856 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

4137 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

5659 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

3229 Views

Last post by farzaneh
Wed Nov 24, 2010 8:06 am
Calculation of spontaneous polarization using vasp 5.2

Last post by happyer225 « Tue Nov 23, 2010 12:52 am
Replies: 5
by Amritendu » Thu Aug 26, 2010 1:54 pm

5 Replies

10503 Views

Last post by happyer225
Tue Nov 23, 2010 12:52 am
electron number by integral the DOSCAR

Last post by physicalattraction « Fri Nov 19, 2010 9:36 am
Replies: 1
by xfh00 » Thu Nov 11, 2010 12:13 am

1 Replies

3196 Views

Last post by physicalattraction
Fri Nov 19, 2010 9:36 am
Question on the unit when simulating with the electric field...

Last post by Sonny « Fri Nov 19, 2010 8:32 am
Replies: 1
by yuyaolun » Thu Nov 11, 2010 3:19 am

1 Replies

3679 Views

Last post by Sonny
Fri Nov 19, 2010 8:32 am
symmetry warning in HSE jobs

Last post by alex « Thu Nov 18, 2010 7:33 am
Replies: 3
by apple » Wed Nov 17, 2010 12:13 am

3 Replies

5953 Views

Last post by alex
Thu Nov 18, 2010 7:33 am
HSE calculations-details

Last post by apple « Mon Nov 15, 2010 12:51 am
Replies: 3
by apple » Tue Nov 02, 2010 4:50 pm

3 Replies

4573 Views

Last post by apple
Mon Nov 15, 2010 12:51 am
size of supercell

Last post by forsdan « Sat Nov 13, 2010 11:05 am
Replies: 2
by Isha » Sat Nov 13, 2010 4:53 am

2 Replies

3796 Views

Last post by forsdan
Sat Nov 13, 2010 11:05 am
convergence

Last post by apple « Fri Nov 12, 2010 8:42 pm
Replies: 2
by apple » Fri Nov 12, 2010 12:04 am

2 Replies

3269 Views

Last post by apple
Fri Nov 12, 2010 8:42 pm

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