[Pw_forum] possibility of relax calculations with saw-tooth potentials (tefield)
rajdeep.jzs at gmail.com
Sat Apr 26 13:44:46 CEST 2014
is it feasible to do a relax calculation of graphene like 2-D
materials under electric field implemented through saw-tooth like potential
with "tefield" (because stress is not implemented with ultrasoft
pseudopotentials)? If not, should it be possible to do the same with
norm-conserving pseudopotentials or should one use "lelfield" flag to do
relax-scf-nscf ? (I'm using espresso-5.0.1)
Any kind of help is highly appreciated.
(Ph. D. student)
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