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
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Vahid Askarpour
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LOPTICS and ALGO=CHI for metals
Last edited by Vahid Askarpour on Wed Jun 13, 2012 2:27 pm, edited 1 time in total.
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Vahid Askarpour
- Newbie
- Posts: 29
- Joined: Sat Sep 27, 2008 5:35 pm
- Location: Halifax, Canada
LOPTICS and ALGO=CHI for metals
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
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
Last edited by Vahid Askarpour on Mon Jul 02, 2012 2:44 pm, edited 1 time in total.