dielectric function calculation

Fernan Saiz fsai... at gmail.com
Sat Apr 15 10:06:04 UTC 2017


Hello all,
I would like to ask if CP2k is able to calculate the high-frequency 
dielectric function epsilon(z) as a function of a given direction z as 
formulated by Fu. et al. PRB 57, 6967 (1998). As a further reference, the 
all-electron code CRYSTAL14 has it implemented using a finite field 
perturbation method.

 Thanks,
 - Fernan Saiz, PhD
Department of Chemistry
Imperial College London
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