Using VASP

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Band decomposed charge density

Last post by zoowe « Thu Sep 09, 2010 6:00 pm
Replies: 5
by jlrch » Mon Sep 06, 2010 7:22 pm

5 Replies

2610 Views

Last post by zoowe
Thu Sep 09, 2010 6:00 pm
Simulation of Carbon Nano Tube

Last post by forsdan « Wed Sep 08, 2010 8:21 am
Replies: 3
by farzaneh » Tue Sep 07, 2010 3:09 pm

3 Replies

1704 Views

Last post by forsdan
Wed Sep 08, 2010 8:21 am
How to set ISPIN for magnetic materials above their critical temperature?

Last post by wdv « Tue Sep 07, 2010 12:00 pm
Replies: 4
by wdv » Mon Sep 06, 2010 8:06 am

4 Replies

3286 Views

Last post by wdv
Tue Sep 07, 2010 12:00 pm
Stress tensor HCP TiB2 crystal

Last post by forsdan « Mon Sep 06, 2010 3:45 pm
Replies: 3
by maartendft » Sun Sep 05, 2010 1:30 pm

3 Replies

3881 Views

Last post by forsdan
Mon Sep 06, 2010 3:45 pm
VASP manual

Last post by lyon0100 « Mon Sep 06, 2010 12:02 am
Replies: 13
by Anonymous » Thu Oct 07, 2004 12:26 pm

13 Replies

24050 Views

Last post by lyon0100
Mon Sep 06, 2010 12:02 am
Energies in OUTCAR

Last post by lgxyz « Sun Sep 05, 2010 2:02 am
Replies: 3
by apple » Sun May 30, 2010 11:38 pm

3 Replies

2273 Views

Last post by lgxyz
Sun Sep 05, 2010 2:02 am
KPOINTs vs. EIGENVAL

Last post by metosa « Fri Sep 03, 2010 9:29 pm
Replies: 1
by lyon0100 » Fri Sep 03, 2010 7:33 pm

1 Replies

1896 Views

Last post by metosa
Fri Sep 03, 2010 9:29 pm
Antiferromagnetic Fe-Co coupling in Fe[Co(CN)6]

Last post by jlrch « Wed Sep 01, 2010 12:22 am
Replies: 1
by mukul » Thu Aug 26, 2010 9:33 pm

1 Replies

1323 Views

Last post by jlrch
Wed Sep 01, 2010 12:22 am
Access to P4VASP

Last post by metosa « Tue Aug 31, 2010 9:37 am
Replies: 1
by munvasp » Mon Aug 30, 2010 4:10 pm

1 Replies

1190 Views

Last post by metosa
Tue Aug 31, 2010 9:37 am
How to calculate the vibrational entropy of a certain substance at some temperature?

Last post by forsdan « Tue Aug 31, 2010 9:20 am
Replies: 3
by tssunrise » Mon Aug 30, 2010 2:37 am

3 Replies

4642 Views

Last post by forsdan
Tue Aug 31, 2010 9:20 am
convergence problem using VASP 5.2

Last post by zhu « Tue Aug 31, 2010 4:27 am
Replies: 1
by zhu » Mon Aug 30, 2010 1:00 am

1 Replies

984 Views

Last post by zhu
Tue Aug 31, 2010 4:27 am
DFT+U

Last post by apple « Mon Aug 30, 2010 4:41 pm
Replies: 2
by apple » Mon Aug 30, 2010 12:21 am

2 Replies

1494 Views

Last post by apple
Mon Aug 30, 2010 4:41 pm
MD determin the structure

Last post by vasp16888 « Mon Aug 30, 2010 8:59 am
Replies: 2
by vasp16888 » Wed Aug 11, 2010 8:49 am

2 Replies

2169 Views

Last post by vasp16888
Mon Aug 30, 2010 8:59 am
EIGENVAL file kpoint coordinates not matching KPOINTS file

Last post by lyon0100 « Sun Aug 29, 2010 9:45 pm
Replies: 1
by lyon0100 » Sat Aug 28, 2010 8:51 am

1 Replies

2609 Views

Last post by lyon0100
Sun Aug 29, 2010 9:45 pm
one question about 'Pstress'

Last post by enya « Sun Aug 29, 2010 6:10 pm
Replies: 1
by zyang » Sat Aug 28, 2010 10:16 pm

1 Replies

1918 Views

Last post by enya
Sun Aug 29, 2010 6:10 pm
How to find Band GAp when there is fractional occupancy

Last post by metosa « Sat Aug 28, 2010 6:14 pm
Replies: 1
by omkar.nene » Sat Aug 28, 2010 12:20 pm

1 Replies

1657 Views

Last post by metosa
Sat Aug 28, 2010 6:14 pm
Atomic relaxations in cartesian

Last post by metosa « Fri Aug 27, 2010 2:53 am
Replies: 2
by sergio » Thu Aug 26, 2010 7:04 pm

2 Replies

2114 Views

Last post by metosa
Fri Aug 27, 2010 2:53 am
Dipole correction for slabs

Last post by admin « Thu Aug 26, 2010 2:50 pm
Replies: 1
by giacomo giorgi » Wed Aug 04, 2010 10:39 am

1 Replies

5351 Views

Last post by admin
Thu Aug 26, 2010 2:50 pm
how to get frequency dependent dilectric constant

Last post by admin « Thu Aug 26, 2010 2:43 pm
Replies: 1
by hpaudel » Wed Aug 04, 2010 11:12 pm

1 Replies

1801 Views

Last post by admin
Thu Aug 26, 2010 2:43 pm
View input files?

Last post by metosa « Thu Aug 26, 2010 8:37 am
Replies: 3
by snk13 » Wed Aug 25, 2010 5:55 pm

3 Replies

3069 Views

Last post by metosa
Thu Aug 26, 2010 8:37 am

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