[CP2K-user] Applying electric field
RUPESH TIWARI
rupesh... at gmail.com
Sat Apr 25 03:58:31 UTC 2020
Dear all,
I am applying electric field along z-direction on a cobalt
system (non-periodic system) and want to optimise it. I have mentioned the
following section in DFT section.
&EXTERNAL_POTENTIAL
FUNCTION (A/B)*Z
VALUES [eV] 0.2 [angstrom] 1.0
PARAMETERS A B
&END EXTERNAL_POTENTIAL
Can anyone please tell me, is it right? I am also attaching the input file
for the sake of your convenience.
Rupesh Kumar Tiwari
C/o: Prof. Gopalan Rajaraman
Junior Research Fellow (CSIR)
Department of Chemistry
IIT Bombay
Mumbai- 400076
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