Using VASP

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Configuration Interaction approach for optical absorption

Last post by support_vasp « Thu Sep 12, 2024 7:43 am
Replies: 1
by leegeunsik » Wed Nov 12, 2014 4:21 pm

1 Replies

1168 Views

Last post by support_vasp
Thu Sep 12, 2024 7:43 am
Anyone knows where to get a manual for the newest vasp.5.3?

Last post by support_vasp « Thu Sep 12, 2024 7:43 am
Replies: 1
by felixvasp » Mon Sep 17, 2012 5:23 am

1 Replies

943 Views

Last post by support_vasp
Thu Sep 12, 2024 7:43 am
3d bandstrucutre

Last post by support_vasp « Thu Sep 12, 2024 7:43 am
Replies: 1
by hat » Sun Jun 15, 2014 10:52 am

1 Replies

877 Views

Last post by support_vasp
Thu Sep 12, 2024 7:43 am
Which pseudopotential/functional for elastic constants?

Last post by support_vasp « Thu Sep 12, 2024 7:43 am
Replies: 1
by Holotype » Tue Aug 07, 2012 5:36 pm

1 Replies

993 Views

Last post by support_vasp
Thu Sep 12, 2024 7:43 am
The occupation number

Last post by support_vasp « Thu Sep 12, 2024 7:42 am
Replies: 1
by fpmarcillo » Wed Feb 12, 2014 5:08 pm

1 Replies

978 Views

Last post by support_vasp
Thu Sep 12, 2024 7:42 am
vibrational density of states

Last post by support_vasp « Thu Sep 12, 2024 7:42 am
Replies: 1
by muthukumar2k3 » Fri Jan 06, 2012 12:35 pm

1 Replies

1321 Views

Last post by support_vasp
Thu Sep 12, 2024 7:42 am
Lost atom in NEB calculation

Last post by support_vasp « Thu Sep 12, 2024 7:42 am
Replies: 1
by thomasd » Tue Oct 22, 2013 7:17 pm

1 Replies

895 Views

Last post by support_vasp
Thu Sep 12, 2024 7:42 am
not reaching the accuracy

Last post by support_vasp « Thu Sep 12, 2024 7:42 am
Replies: 1
by Leny » Sun Oct 26, 2014 9:29 am

1 Replies

1070 Views

Last post by support_vasp
Thu Sep 12, 2024 7:42 am
calculating band structure of graphne

Last post by support_vasp « Thu Sep 12, 2024 7:41 am
Replies: 1
by d7cf88 » Thu Jul 26, 2012 9:11 am

1 Replies

1292 Views

Last post by support_vasp
Thu Sep 12, 2024 7:41 am
Apply an external force to a group of atoms?

Last post by support_vasp « Thu Sep 12, 2024 7:41 am
Replies: 1
by nickFan » Fri Nov 09, 2012 9:23 pm

1 Replies

1058 Views

Last post by support_vasp
Thu Sep 12, 2024 7:41 am
Lattice vectors for rhombohedral unit cell of BiFeO3

Last post by support_vasp « Thu Sep 12, 2024 7:41 am
Replies: 1
by Iyyapparajan » Mon Oct 27, 2014 10:05 am

1 Replies

1755 Views

Last post by support_vasp
Thu Sep 12, 2024 7:41 am
the total energy of homogeneous electron gas

Last post by support_vasp « Thu Sep 12, 2024 7:41 am
Replies: 1
by yuhaoli » Wed Apr 24, 2013 12:04 pm

1 Replies

1185 Views

Last post by support_vasp
Thu Sep 12, 2024 7:41 am
hirshfeld analysis in vasp

Last post by support_vasp « Thu Sep 12, 2024 7:41 am
Replies: 1
by Racknarok » Mon Sep 02, 2013 5:18 pm

1 Replies

1187 Views

Last post by support_vasp
Thu Sep 12, 2024 7:41 am
penalty energy in constrained noncollinear magnetic calculations

Last post by support_vasp « Thu Sep 12, 2024 7:41 am
Replies: 1
by Leo Liang » Fri Sep 09, 2011 7:34 pm

1 Replies

1195 Views

Last post by support_vasp
Thu Sep 12, 2024 7:41 am
printing wavevectors

Last post by support_vasp « Thu Sep 12, 2024 7:41 am
Replies: 1
by chris_a » Tue Sep 18, 2012 2:20 am

1 Replies

836 Views

Last post by support_vasp
Thu Sep 12, 2024 7:41 am
NEDOS problem

Last post by support_vasp « Thu Sep 12, 2024 7:40 am
Replies: 1
by dilnaazhikodan » Fri Nov 22, 2013 1:56 pm

1 Replies

981 Views

Last post by support_vasp
Thu Sep 12, 2024 7:40 am
hybrid functionals and core level shift calculations

Last post by support_vasp « Thu Sep 12, 2024 7:40 am
Replies: 1
by gonneyeats » Sat Jun 16, 2012 5:35 am

1 Replies

960 Views

Last post by support_vasp
Thu Sep 12, 2024 7:40 am
Optical transition matrix elements

Last post by support_vasp « Thu Sep 12, 2024 7:40 am
Replies: 1
by zhu » Wed Sep 19, 2012 3:42 am

1 Replies

1417 Views

Last post by support_vasp
Thu Sep 12, 2024 7:40 am
Long range corrected LDA

Last post by support_vasp « Thu Sep 12, 2024 7:40 am
Replies: 1
by captaincook » Mon Nov 12, 2012 6:57 am

1 Replies

838 Views

Last post by support_vasp
Thu Sep 12, 2024 7:40 am
calculating unit cell Dipole moments

Last post by support_vasp « Thu Sep 12, 2024 7:40 am
Replies: 1
by ssi » Wed Mar 06, 2013 3:46 am

1 Replies

988 Views

Last post by support_vasp
Thu Sep 12, 2024 7:40 am

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