Using VASP

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Applying a finite electric field

Last post by support_vasp « Thu Sep 12, 2024 8:34 am
Replies: 1
by kor1981 » Fri Jan 24, 2014 7:36 am

1 Replies

4582 Views

Last post by support_vasp
Thu Sep 12, 2024 8:34 am
How can I apply strain?

Last post by support_vasp « Thu Sep 12, 2024 8:33 am
Replies: 1
by Nanco » Fri Jan 24, 2014 4:20 am

1 Replies

3683 Views

Last post by support_vasp
Thu Sep 12, 2024 8:33 am
How can I do the calculation of optics properties with the selected energy range

Last post by support_vasp « Thu Sep 12, 2024 8:33 am
Replies: 1
by msdeng » Tue Jan 21, 2014 1:44 pm

1 Replies

3296 Views

Last post by support_vasp
Thu Sep 12, 2024 8:33 am
problem on Sm potential

Last post by support_vasp « Thu Sep 12, 2024 8:33 am
Replies: 1
by wen » Tue Jan 21, 2014 3:27 am

1 Replies

3212 Views

Last post by support_vasp
Thu Sep 12, 2024 8:33 am
Optimization of Organic Molecules on MoO3

Last post by support_vasp « Thu Sep 12, 2024 8:33 am
Replies: 1
by danith » Wed Oct 17, 2012 4:54 pm

1 Replies

3335 Views

Last post by support_vasp
Thu Sep 12, 2024 8:33 am
order of f orbitals in DOSCAR

Last post by support_vasp « Thu Sep 12, 2024 8:33 am
Replies: 1
by arnt » Wed Jun 08, 2011 2:02 pm

1 Replies

3550 Views

Last post by support_vasp
Thu Sep 12, 2024 8:33 am
polarizability (diag[e(oo)]) units

Last post by support_vasp « Thu Sep 12, 2024 8:33 am
Replies: 1
by Isabel » Mon Jul 15, 2013 3:52 pm

1 Replies

3057 Views

Last post by support_vasp
Thu Sep 12, 2024 8:33 am
ISPIN tag for nonmagnetic surface+adsorbate calculation

Last post by support_vasp « Thu Sep 12, 2024 8:32 am
Replies: 1
by googhgoo » Thu Oct 03, 2013 9:14 pm

1 Replies

3058 Views

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

3487 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

3427 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

3938 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

3896 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

3312 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

3576 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

3416 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

3535 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

3813 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

3686 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

4239 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

3596 Views

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

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