[Pw_forum] Dynamic polarizability of C60

[anne etindele]

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
Université de Douala, Cameroun
Assistant Lecturer 
Ecole Normale Supérieure 
Université de Yaoundé, Cameroun
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