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LOPTICS and ALGO=CHI for metals

Posted: Wed Jun 13, 2012 2:27 pm
by Vahid Askarpour
Dear VASP Users,

Two short questions:

1. Can LOPTICS be used to extract real and imaginary dielectric constants of a metal at the dft level?

2. Can this be done by setting LOPTICS=.TRUE. and ALGO=CHI?

Thank you,
Vahid

LOPTICS and ALGO=CHI for metals

Posted: Mon Jul 02, 2012 2:44 pm
by Vahid Askarpour
Since there was no response to the above two questions, let me ask a third question then:

3. How can the LOPTICS setting be used to compare the real and imaginary dielectric constants of a metal at the dft level for two different non-gamma kpoints, e.g 0.25,0.25,0.25 and 0.5,0,0?

Vahid