Using VASP

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Obtaining DOS and CHGCAR in relaxation run

Last post by support_vasp « Thu Sep 12, 2024 7:44 am
Replies: 1
by jcconesa » Fri Nov 09, 2012 5:21 pm

1 Replies

1147 Views

Last post by support_vasp
Thu Sep 12, 2024 7:44 am
ase

Last post by support_vasp « Thu Sep 12, 2024 7:44 am
Replies: 1
by jyoti » Tue Oct 22, 2013 12:55 pm

1 Replies

1073 Views

Last post by support_vasp
Thu Sep 12, 2024 7:44 am
error in HSE calculation

Last post by support_vasp « Thu Sep 12, 2024 7:44 am
Replies: 1
by sudeep » Wed Nov 09, 2011 10:45 am

1 Replies

1315 Views

Last post by support_vasp
Thu Sep 12, 2024 7:44 am
Optimizing a structure at a fix temperature

Last post by support_vasp « Thu Sep 12, 2024 7:43 am
Replies: 1
by shyam » Thu Jun 05, 2014 2:52 pm

1 Replies

1040 Views

Last post by support_vasp
Thu Sep 12, 2024 7:43 am
Occupancies and eigenvectors - LDAUPRINT = 2 or 1

Last post by support_vasp « Thu Sep 12, 2024 7:43 am
Replies: 1
by szvasp » Thu Nov 27, 2014 12:56 am

1 Replies

2197 Views

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

1185 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

968 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

903 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

1016 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

1005 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

1350 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

920 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

1093 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

1316 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

1079 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

1782 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

1209 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

1213 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

1219 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

863 Views

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

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