Dear all,
I would like just to have confirmation about the units used by QE for electric
field within two different approaches:
1) sawtooth potential
from the documentation I see Amplitude of the electric field, in ***Hartree***
a.u.;
1 a.u. = 51.4220632*10^10 V/m
That means that 1 V / A = 1 / 51.4220632 = 0.019447 => eamp = 0.019447 in this
example
2) ESM method with esm_bc = ‘bc2’
from the documentation I read "magnitude of the electric field [Ry/a.u.] to be
applied
between semi-infinite ESM electrodes.”
That means that 1 V / A = 2 / 51.4220632 = 0.038894
So, if I want to test both methods, I should use in the former case a value of
eamp, in the latter twice this value.
Is it right?
Thanks for support,
Giovanni
--
Giovanni Cantele, PhD
CNR-SPIN
c/o Dipartimento di Fisica
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
e-mail: [email protected]
[email protected]
Phone: +39 081 676910
Skype contact: giocan74
Web page: https://sites.google.com/view/giovanni-cantele
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