Using VASP

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relaxation with constrained magnetic moments

Last post by support_vasp « Thu Sep 12, 2024 8:32 am
Replies: 1
by ipc01 » Sun Apr 24, 2011 11:36 am

1 Replies

1550 Views

Last post by support_vasp
Thu Sep 12, 2024 8:32 am
Should ?LCALCPOL? be used after scf?

Last post by support_vasp « Thu Sep 12, 2024 8:32 am
Replies: 1
by nkxirainbow » Mon Dec 05, 2011 6:23 pm

1 Replies

1637 Views

Last post by support_vasp
Thu Sep 12, 2024 8:32 am
the NBANDS in G0W0 calculation

Last post by support_vasp « Thu Sep 12, 2024 8:32 am
Replies: 1
by njuxyh » Sat Apr 07, 2012 11:00 am

1 Replies

1712 Views

Last post by support_vasp
Thu Sep 12, 2024 8:32 am
space group change

Last post by support_vasp « Thu Sep 12, 2024 8:32 am
Replies: 1
by Mayura » Thu Dec 19, 2013 2:22 pm

1 Replies

1575 Views

Last post by support_vasp
Thu Sep 12, 2024 8:32 am
potential normalization

Last post by support_vasp « Thu Sep 12, 2024 8:31 am
Replies: 1
by wline » Wed Dec 18, 2013 5:01 pm

1 Replies

1443 Views

Last post by support_vasp
Thu Sep 12, 2024 8:31 am
MBJLDA band structure calculation

Last post by support_vasp « Thu Sep 12, 2024 8:31 am
Replies: 1
by wyxsdu » Tue Dec 17, 2013 11:13 am

1 Replies

1688 Views

Last post by support_vasp
Thu Sep 12, 2024 8:31 am
about paw and linear_optics.

Last post by support_vasp « Thu Sep 12, 2024 8:31 am
Replies: 1
by talenth1 » Tue Dec 17, 2013 10:24 am

1 Replies

1492 Views

Last post by support_vasp
Thu Sep 12, 2024 8:31 am
Symmetrized and not symmetrized hessian

Last post by support_vasp « Thu Sep 12, 2024 8:31 am
Replies: 1
by abalone » Mon Dec 16, 2013 1:56 pm

1 Replies

1546 Views

Last post by support_vasp
Thu Sep 12, 2024 8:31 am
Positive Total energy in the calculation

Last post by support_vasp « Thu Sep 12, 2024 8:31 am
Replies: 1
by Jaehyung » Mon Dec 16, 2013 6:39 am

1 Replies

1556 Views

Last post by support_vasp
Thu Sep 12, 2024 8:31 am
Structure data

Last post by support_vasp « Thu Sep 12, 2024 8:30 am
Replies: 1
by TarekHammad » Sun Dec 15, 2013 12:31 pm

1 Replies

1538 Views

Last post by support_vasp
Thu Sep 12, 2024 8:30 am
Orbital angular momentum & Spin angular moment for PROCAR

Last post by support_vasp « Thu Sep 12, 2024 8:30 am
Replies: 1
by HJ.Kim » Fri Dec 13, 2013 1:08 am

1 Replies

2419 Views

Last post by support_vasp
Thu Sep 12, 2024 8:30 am
How to know the initial magnetic moments?

Last post by support_vasp « Thu Sep 12, 2024 8:30 am
Replies: 1
by bioggg » Wed Dec 11, 2013 11:18 pm

1 Replies

1620 Views

Last post by support_vasp
Thu Sep 12, 2024 8:30 am
How to generate wannier90.spn by vasp2wannier

Last post by support_vasp « Thu Sep 12, 2024 8:30 am
Replies: 1
by dwztom » Fri Nov 15, 2013 8:41 am

1 Replies

2676 Views

Last post by support_vasp
Thu Sep 12, 2024 8:30 am
Monoclinic structure symmetry

Last post by support_vasp « Thu Sep 12, 2024 8:30 am
Replies: 1
by zaz » Thu Nov 14, 2013 3:15 pm

1 Replies

1973 Views

Last post by support_vasp
Thu Sep 12, 2024 8:30 am
magnetic moment for vanadium, chromium and menganese

Last post by support_vasp « Thu Sep 12, 2024 8:29 am
Replies: 1
by cappri » Wed Nov 13, 2013 8:53 pm

1 Replies

1668 Views

Last post by support_vasp
Thu Sep 12, 2024 8:29 am
Phonon modes

Last post by support_vasp « Thu Sep 12, 2024 8:29 am
Replies: 1
by vasp_beginners » Tue Nov 12, 2013 3:21 pm

1 Replies

1499 Views

Last post by support_vasp
Thu Sep 12, 2024 8:29 am
calculation the electronic structure of rare earth element

Last post by support_vasp « Thu Sep 12, 2024 8:29 am
Replies: 1
by tobevaspmaster » Tue Nov 12, 2013 4:14 am

1 Replies

1599 Views

Last post by support_vasp
Thu Sep 12, 2024 8:29 am
B3LYP error

Last post by support_vasp « Thu Sep 12, 2024 8:29 am
Replies: 1
by ccccc » Tue Nov 12, 2013 12:56 am

1 Replies

1413 Views

Last post by support_vasp
Thu Sep 12, 2024 8:29 am
Site-projected density of states

Last post by support_vasp « Thu Sep 12, 2024 8:29 am
Replies: 1
by mrmol » Mon Nov 11, 2013 2:16 pm

1 Replies

1602 Views

Last post by support_vasp
Thu Sep 12, 2024 8:29 am
Configuration coordinate diagrams

Last post by support_vasp « Thu Sep 12, 2024 8:29 am
Replies: 1
by dft_beginner » Fri Nov 08, 2013 4:16 pm

1 Replies

1658 Views

Last post by support_vasp
Thu Sep 12, 2024 8:29 am

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