[Pw_forum] Dielectric constant of Monolyer MoS2 in .ph
Kanak Datta
kanakeee08 at gmail.com
Sat Aug 8 22:48:06 CEST 2015
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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150809/ab71a3cb/attachment.html>
More information about the users
mailing list