Using VASP

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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

4065 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

1935 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

3591 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

1324 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

1885 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

1802 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

1239 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

2665 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

944 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

2385 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

1016 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

1153 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

1228 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

2915 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

1010 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
No initial positions read in

Last post by jfjobidon « Tue Sep 27, 2011 4:47 pm
Replies: 1
by jfjobidon » Tue Sep 27, 2011 4:25 pm

1 Replies

1283 Views

Last post by jfjobidon
Tue Sep 27, 2011 4:47 pm
HSE Calculation

Last post by kambiz « Thu Sep 22, 2011 5:36 am
Replies: 1
by kmkumar » Wed Sep 21, 2011 1:39 pm

1 Replies

2174 Views

Last post by kambiz
Thu Sep 22, 2011 5:36 am
VASP-5.2 calculate elastic constants

Last post by vistawanted « Tue Sep 20, 2011 3:13 pm
Replies: 1
by asvini » Tue Sep 20, 2011 1:37 pm

1 Replies

3125 Views

Last post by vistawanted
Tue Sep 20, 2011 3:13 pm

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