Using VASP

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writing CHGCAR

Last post by admin « Wed Sep 16, 2015 10:57 am
Replies: 1
by rajeshc » Wed Sep 16, 2015 9:04 am

1 Replies

1908 Views

Last post by admin
Wed Sep 16, 2015 10:57 am
Calculating the dipole moment as a function of time

Last post by admin « Tue Sep 15, 2015 12:45 pm
Replies: 1
by Samin.2 » Tue Sep 08, 2015 5:37 pm

1 Replies

2227 Views

Last post by admin
Tue Sep 15, 2015 12:45 pm
questions about POTCAR

Last post by admin « Tue Sep 15, 2015 12:39 pm
Replies: 1
by luke419 » Mon Sep 07, 2015 4:31 am

1 Replies

2161 Views

Last post by admin
Tue Sep 15, 2015 12:39 pm
How can I calculate the spin exchange interaction parameters

Last post by szvasp « Mon Sep 14, 2015 11:26 am
Replies: 1
by MamonovaMV » Fri Sep 11, 2015 1:44 pm

1 Replies

4446 Views

Last post by szvasp
Mon Sep 14, 2015 11:26 am
Total energies from charged slabs

Last post by alex « Fri Sep 04, 2015 10:21 am
Replies: 3
by hat343 » Wed Aug 26, 2015 1:32 am

3 Replies

5042 Views

Last post by alex
Fri Sep 04, 2015 10:21 am
The self energy of the total system

Last post by wvno2 « Thu Sep 03, 2015 2:19 pm
Replies: 2
by wvno2 » Wed Sep 02, 2015 10:31 pm

2 Replies

2097 Views

Last post by wvno2
Thu Sep 03, 2015 2:19 pm
Comparison of NEB calculation durations

Last post by admin « Thu Sep 03, 2015 9:07 am
Replies: 5
by ArtKa » Mon Aug 31, 2015 2:16 pm

5 Replies

4075 Views

Last post by admin
Thu Sep 03, 2015 9:07 am
Convergence criteria for stress?

Last post by xamnidar « Wed Sep 02, 2015 11:32 pm
Replies: 1
by xamnidar » Thu Dec 18, 2014 2:20 am

1 Replies

3046 Views

Last post by xamnidar
Wed Sep 02, 2015 11:32 pm
SC steps converging with Zn but not Cu in supercell

Last post by admin « Tue Aug 25, 2015 10:12 am
Replies: 3
by hubertc » Sat Aug 22, 2015 12:20 am

3 Replies

2411 Views

Last post by admin
Tue Aug 25, 2015 10:12 am
NEDOS and Spin

Last post by admin « Fri Aug 21, 2015 3:41 pm
Replies: 1
by aina2412 » Thu Aug 13, 2015 2:01 pm

1 Replies

2001 Views

Last post by admin
Fri Aug 21, 2015 3:41 pm
D2 Correction

Last post by kelum « Fri Aug 21, 2015 12:36 pm
Replies: 1
by compu_nano » Fri Aug 21, 2015 8:13 am

1 Replies

2648 Views

Last post by kelum
Fri Aug 21, 2015 12:36 pm
DOS between two energy levels

Last post by Neutrino « Thu Jul 30, 2015 11:09 pm
Replies: 1
by karthik1124 » Tue Jul 28, 2015 2:45 am

1 Replies

2328 Views

Last post by Neutrino
Thu Jul 30, 2015 11:09 pm
band structure calculation

Last post by admin « Tue Jul 28, 2015 2:40 pm
Replies: 1
by luke419 » Thu Jul 16, 2015 3:44 am

1 Replies

2607 Views

Last post by admin
Tue Jul 28, 2015 2:40 pm
EXX energy dependence on Vacuum layer/k-points

Last post by juhL « Mon Jul 27, 2015 8:27 pm
Replies: 2
by juhL » Thu Jul 23, 2015 9:57 am

2 Replies

2210 Views

Last post by juhL
Mon Jul 27, 2015 8:27 pm
Molecular Modelling

Last post by Neutrino « Mon Jul 27, 2015 5:41 pm
Replies: 1
by obanks » Thu Jul 23, 2015 7:43 pm

1 Replies

1686 Views

Last post by Neutrino
Mon Jul 27, 2015 5:41 pm
Lattice vectors IN OUTCAR File

Last post by Iyyapparajan « Mon Jul 27, 2015 5:02 pm
Replies: 4
by Iyyapparajan » Fri Jul 10, 2015 7:53 am

4 Replies

6807 Views

Last post by Iyyapparajan
Mon Jul 27, 2015 5:02 pm
Pt pseudopotential

Last post by alex « Mon Jul 27, 2015 10:32 am
Replies: 1
by chelman » Fri Jul 24, 2015 10:54 pm

1 Replies

1818 Views

Last post by alex
Mon Jul 27, 2015 10:32 am
Compulation of plane averaged eletrostatic potential

Last post by sunncepu « Mon Jul 27, 2015 9:10 am
Replies: 3
by sunncepu » Sun Jul 12, 2015 5:40 am

3 Replies

4300 Views

Last post by sunncepu
Mon Jul 27, 2015 9:10 am
FERMI SURFACE plotting in VASP

Last post by tomic « Fri Jul 24, 2015 4:34 pm
Replies: 2
by Hrishit Banerjee » Wed Jun 17, 2015 1:43 pm

2 Replies

7693 Views

Last post by tomic
Fri Jul 24, 2015 4:34 pm
LOCPOT from G0W0

Last post by admin « Thu Jul 23, 2015 11:45 am
Replies: 1
by nitinkr » Sun Jun 28, 2015 5:01 pm

1 Replies

1980 Views

Last post by admin
Thu Jul 23, 2015 11:45 am

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