Using VASP

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ISMEAR

Last post by Dr Vitaly V. G. Chaban « Tue Oct 25, 2011 4:46 am
Replies: 2
by vasp_user » Thu Oct 13, 2011 8:34 am

2 Replies

1338 Views

Last post by Dr Vitaly V. G. Chaban
Tue Oct 25, 2011 4:46 am
DOS and Band structure plotting

Last post by agupta16 « Mon Oct 24, 2011 11:33 pm
Replies: 3
by agupta16 » Sat Oct 22, 2011 11:46 pm

3 Replies

3630 Views

Last post by agupta16
Mon Oct 24, 2011 11:33 pm
Problem with DOS calcuation by hybrid density functional

Last post by opvu « Sat Oct 22, 2011 12:38 pm
Replies: 1
by opvu » Fri Oct 21, 2011 12:17 pm

1 Replies

2555 Views

Last post by opvu
Sat Oct 22, 2011 12:38 pm
hcp Mg and Monkhorst Pack grids

Last post by tlchan « Sat Oct 22, 2011 7:31 am
Replies: 2
by vasp_user » Mon Oct 17, 2011 11:08 pm

2 Replies

4073 Views

Last post by tlchan
Sat Oct 22, 2011 7:31 am
PBE0 band structure: occupied bands are wrong

Last post by hatdau « Tue Oct 18, 2011 10:28 am
Replies: 1
by hatdau » Sun Sep 25, 2011 6:25 pm

1 Replies

1940 Views

Last post by hatdau
Tue Oct 18, 2011 10:28 am
Magnetism of dilute alloys

Last post by jlrch « Fri Oct 14, 2011 9:16 pm
Replies: 5
by corbin » Fri May 21, 2010 9:57 am

5 Replies

3599 Views

Last post by jlrch
Fri Oct 14, 2011 9:16 pm
How to simulate STACKING FAULT?

Last post by dyc_2008 « Thu Oct 13, 2011 5:22 am
Replies: 2
by dyc_2008 » Mon Oct 10, 2011 5:48 am

2 Replies

1333 Views

Last post by dyc_2008
Thu Oct 13, 2011 5:22 am
ISPIN=2 for Eu_2 pseudopotential

Last post by blazing « Wed Oct 12, 2011 12:09 pm
Replies: 3
by blazing » Mon Oct 10, 2011 7:58 pm

3 Replies

1894 Views

Last post by blazing
Wed Oct 12, 2011 12:09 pm
odd number of electrons

Last post by apple « Wed Oct 12, 2011 1:04 am
Replies: 2
by apple » Fri Oct 07, 2011 7:39 am

2 Replies

1810 Views

Last post by apple
Wed Oct 12, 2011 1:04 am
Potentials with improved f scattering properties

Last post by jber « Sat Oct 08, 2011 3:23 pm
Replies: 3
by jber » Thu Jul 07, 2011 5:16 pm

3 Replies

1244 Views

Last post by jber
Sat Oct 08, 2011 3:23 pm
XRD and NMR

Last post by jewar « Thu Oct 06, 2011 5:13 am
Replies: 3
by mff7d » Wed Sep 28, 2011 3:15 am

3 Replies

2668 Views

Last post by jewar
Thu Oct 06, 2011 5:13 am
CMPZ algorithm, vasp calculated structures

Last post by admin « Wed Oct 05, 2011 11:39 am

by admin » Wed Oct 05, 2011 11:39 am

0 Replies

945 Views

Last post by admin
Wed Oct 05, 2011 11:39 am
DOS and RWIGS

Last post by admin « Wed Oct 05, 2011 11:35 am
Replies: 5
by Isha » Thu Sep 01, 2011 5:45 pm

5 Replies

2393 Views

Last post by admin
Wed Oct 05, 2011 11:35 am
Frustrated translation

Last post by admin « Wed Oct 05, 2011 11:22 am
Replies: 1
by kambiz » Wed Sep 28, 2011 11:42 am

1 Replies

1020 Views

Last post by admin
Wed Oct 05, 2011 11:22 am
optics calculations

Last post by admin « Wed Oct 05, 2011 11:11 am
Replies: 1
by chandrima » Fri Sep 30, 2011 7:31 pm

1 Replies

1226 Views

Last post by admin
Wed Oct 05, 2011 11:11 am
how to set the KPOINTS when I want to calculation the partial charge density

Last post by hatdau « Thu Sep 29, 2011 9:55 pm
Replies: 1
by eli » Wed Sep 28, 2011 1:48 pm

1 Replies

1159 Views

Last post by hatdau
Thu Sep 29, 2011 9:55 pm
OPT with IBRION=2 then NEB with IBRION=3

Last post by admin « Thu Sep 29, 2011 5:54 pm
Replies: 1
by sigi14 » Wed Sep 28, 2011 3:56 pm

1 Replies

1233 Views

Last post by admin
Thu Sep 29, 2011 5:54 pm
Removing a Specific electron

Last post by admin « Thu Sep 29, 2011 5:43 pm
Replies: 5
by kmkumar » Tue Sep 27, 2011 3:29 pm

5 Replies

2924 Views

Last post by admin
Thu Sep 29, 2011 5:43 pm
NMR shifts?

Last post by admin « Thu Sep 29, 2011 2:34 pm
Replies: 1
by ehm » Tue Sep 27, 2011 12:25 am

1 Replies

1013 Views

Last post by admin
Thu Sep 29, 2011 2:34 pm
HSE06 band structure -- occupied and unoccupied bands problem

Last post by dvdcprague « Tue Sep 27, 2011 11:09 pm
Replies: 2
by dvdcprague » Tue Sep 27, 2011 8:29 pm

2 Replies

1632 Views

Last post by dvdcprague
Tue Sep 27, 2011 11:09 pm

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