[Pw_forum] Dielectric constant of Monolyer MoS2 in .ph

[Bahadır salmankurt]

Dear Kanak Datta

if the system is considered metalic, it gives a error like  "no elec. field
with metals". Please do calculation in non-metalic condition.

regards

2015-08-08 23:48 GMT+03:00 Kanak Datta <kanakeee08 at gmail.com>:

> Dear researchers
>
> Is it possible to calculate static dielectric constant of mono/bi layer
> MoS2 using .ph package in quantum espresso? I have performed self
> consistent formulation already and have been using the following code for
> .ph package found in a tutorial:
> &inputph
>   tr2_ph=1.0d-14,
>   prefix='MoS210',
>   epsil=.true.
>   outdir='D:\QuantumEspresso\Quantum ESPRESSO 64-bit 5.1.2-
> mpich2\MoS210\outdir',
>   !outdir='./'
>   fildyn='MoS210.dynG',
>  /
>  0.0 0.0 0.0
>
> The code however would terminate saying " no elec. field with
> metals".....can anyone please help me with this?
>
> Thanks in advance.
> Sincerely yours
> Kanak Datta
> Dept. of EEE, BUET
>
>
>
>
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