Dear all
I am a new user of Quantum espresso (espresso-4.3.1), and I have found that it
is possible,
as it is done in example 33, to calculate dynamic polarizability of molecules
using pw.x
and ph.x.
I am interested on the description of properties of C60 complex. I tried to
modify the script of example 33
in order to get its dynamic polarizability but I couldn't even run self
consistent calculation as the code signals "MPI abort..".
I would like to know if:
* it is possible to get dynamic polarizability or photoionization cross
section of C60 using this method or with any other code
* it can run on normal desktop or laptop (Dual Core CPU with 4GB of RAM
and 2.8 GHz) of frequency?
* there is an input file of C60 available in case if my in put file may
be the problem
The sample in put file I modified and used is joined to this mail.
Kind regards
Anne J. ETINDELE
PhD Student
Laboratoire de Physique Fondamentale
Universit? de Douala, Cameroun
Assistant Lecturer
Ecole Normale Sup?rieure
Universit? de Yaound?, Cameroun
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