Dear users,
I did a study on the crystallin electronics and thermoelectric and magnetic
properties using ultrasoft pseudopotential and for the optical properties I
used norme-conserving pseudopotential, my question now is:
do I have the right to publish all these results knowing that I changed the
type of pseudopotential to study optical properties?
for optical properties i used the cristallin structure founded in the case
of ultrasoft, do i have right to do this too?, or i should do optimized
again with norme-conserving pseudopotential( we all know that i will get
different value of lattice parameter --> different properties).
and another thing, the electrical gap is superior than optical gap,in the
reality it's opposite.
any adive please
*---------------------------------------------------------------------------------------------------------------------------
Hassan AHMOUMEquipe Physique de la Matière Condensée et Modélisation
des sysèmes. (EPMCMS).Laboratoire Physique des Matériaux et Modélisation
des Systèmes (LP2MS).Université Moulay Ismail- Faculté des Sciences de
Meknès.BP 11201, Zitoune Meknès-MarocTel. +212 603-73-05-96*
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