Using VASP

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Berry Phase: Calculate the Polarization from "Born effective charge" or "Total dipole moment"?

Last post by support_vasp « Thu Sep 12, 2024 9:02 am
Replies: 1
by tilak » Thu Jan 16, 2014 12:59 pm

1 Replies

2307 Views

Last post by support_vasp
Thu Sep 12, 2024 9:02 am
What is reference energy of E0?

Last post by support_vasp « Thu Sep 12, 2024 9:02 am
Replies: 1
by foifrit1 » Wed Jan 15, 2014 6:54 pm

1 Replies

2071 Views

Last post by support_vasp
Thu Sep 12, 2024 9:02 am
how do i caculate the inner product of AE wavefunction (save as paw wf.) from the wave car?

Last post by support_vasp « Thu Sep 12, 2024 9:02 am
Replies: 1
by talenth1 » Mon Jan 13, 2014 12:41 pm

1 Replies

1585 Views

Last post by support_vasp
Thu Sep 12, 2024 9:02 am
Problems with homo e lumo, and the range energy in DOS

Last post by support_vasp « Thu Sep 12, 2024 9:02 am
Replies: 1
by neel » Mon Jan 13, 2014 10:42 pm

1 Replies

1623 Views

Last post by support_vasp
Thu Sep 12, 2024 9:02 am
VDW_C6

Last post by support_vasp « Thu Sep 12, 2024 9:02 am
Replies: 1
by yundong » Sat Nov 02, 2013 2:09 pm

1 Replies

1597 Views

Last post by support_vasp
Thu Sep 12, 2024 9:02 am
PARCHG file generation

Last post by support_vasp « Thu Sep 12, 2024 9:01 am
Replies: 1
by giacomo giorgi » Wed Oct 02, 2013 5:15 am

1 Replies

1739 Views

Last post by support_vasp
Thu Sep 12, 2024 9:01 am
how to have the kinetic, potential, exchange and correlation energy from VASP calculation

Last post by support_vasp « Thu Sep 12, 2024 9:01 am
Replies: 1
by wen » Thu Oct 31, 2013 6:32 am

1 Replies

1636 Views

Last post by support_vasp
Thu Sep 12, 2024 9:01 am
total magnetization changes

Last post by support_vasp « Thu Sep 12, 2024 9:01 am
Replies: 1
by M Dave » Wed Oct 30, 2013 3:03 pm

1 Replies

1623 Views

Last post by support_vasp
Thu Sep 12, 2024 9:01 am
monolayer

Last post by support_vasp « Thu Sep 12, 2024 9:01 am
Replies: 1
by jyoti » Wed Jul 10, 2013 9:27 am

1 Replies

1815 Views

Last post by support_vasp
Thu Sep 12, 2024 9:01 am
parallel tempering in vasp

Last post by support_vasp « Thu Sep 12, 2024 9:01 am
Replies: 1
by sammu09 » Tue Sep 24, 2013 1:43 am

1 Replies

1634 Views

Last post by support_vasp
Thu Sep 12, 2024 9:01 am
question on VASP manual -- simulated annealing

Last post by support_vasp « Thu Sep 12, 2024 9:01 am
Replies: 1
by ericsun » Wed Jul 10, 2013 5:32 am

1 Replies

1901 Views

Last post by support_vasp
Thu Sep 12, 2024 9:01 am
Find DOS using Spherical Jellium model for Au

Last post by support_vasp « Thu Sep 12, 2024 9:00 am
Replies: 1
by indatt » Sun Aug 18, 2013 9:53 am

1 Replies

1673 Views

Last post by support_vasp
Thu Sep 12, 2024 9:00 am
No convergence for dipole-corrected structural relaxation

Last post by support_vasp « Thu Sep 12, 2024 8:59 am
Replies: 1
by Lian » Wed May 15, 2013 1:28 pm

1 Replies

1711 Views

Last post by support_vasp
Thu Sep 12, 2024 8:59 am
thermal conductivity

Last post by support_vasp « Thu Sep 12, 2024 8:59 am
Replies: 1
by ccccc » Mon Jul 08, 2013 12:06 pm

1 Replies

1754 Views

Last post by support_vasp
Thu Sep 12, 2024 8:59 am
4f states in GW PAW datasets

Last post by support_vasp « Thu Sep 12, 2024 8:59 am
Replies: 1
by Torbjorn » Fri Jul 05, 2013 11:43 am

1 Replies

1567 Views

Last post by support_vasp
Thu Sep 12, 2024 8:59 am
Representing doping of graphene, band structures

Last post by support_vasp « Thu Sep 12, 2024 8:59 am
Replies: 1
by warchibald » Fri Jul 05, 2013 12:18 am

1 Replies

1915 Views

Last post by support_vasp
Thu Sep 12, 2024 8:59 am
Cu[Ga,In]Se2,S2 Crystal surface

Last post by support_vasp « Thu Sep 12, 2024 8:58 am
Replies: 1
by cappri » Thu May 16, 2013 6:35 pm

1 Replies

1574 Views

Last post by support_vasp
Thu Sep 12, 2024 8:58 am
HSE06 exchange screening parameter

Last post by support_vasp « Thu Sep 12, 2024 8:58 am
Replies: 1
by srinubarc » Wed May 15, 2013 6:30 am

1 Replies

1521 Views

Last post by support_vasp
Thu Sep 12, 2024 8:58 am
Nonmagnetic fully relativistic calculation

Last post by support_vasp « Thu Sep 12, 2024 8:58 am
Replies: 1
by saishi » Tue May 14, 2013 10:11 am

1 Replies

1588 Views

Last post by support_vasp
Thu Sep 12, 2024 8:58 am
energy band calculation (error in results)

Last post by support_vasp « Thu Sep 12, 2024 8:58 am
Replies: 1
by ccccc » Mon May 13, 2013 1:42 pm

1 Replies

1533 Views

Last post by support_vasp
Thu Sep 12, 2024 8:58 am

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