Using VASP

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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

1635 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

1664 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

2000 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

1429 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

1798 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

1950 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

1685 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

2513 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

1782 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

1787 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

1854 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

1467 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

1661 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

1656 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

2018 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

1453 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

1583 Views

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

Last post by support_vasp « Thu Sep 12, 2024 7:40 am
Replies: 1
by ntuxi » Sun Sep 21, 2014 3:45 pm

1 Replies

1790 Views

Last post by support_vasp
Thu Sep 12, 2024 7:40 am
The effect of pressure on the crystal structure

Last post by support_vasp « Thu Sep 12, 2024 7:39 am
Replies: 1
by kambiz » Fri Sep 19, 2014 8:07 am

1 Replies

1690 Views

Last post by support_vasp
Thu Sep 12, 2024 7:39 am
Identical sites-atoms in POSCAR?

Last post by support_vasp « Thu Sep 12, 2024 7:39 am
Replies: 1
by kayahan » Wed Apr 24, 2013 3:58 pm

1 Replies

1466 Views

Last post by support_vasp
Thu Sep 12, 2024 7:39 am

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