Dear allI am trying to determine the electric dipole polarizability of C60.
Using Phonon, I got a single value, whereas whit TDDFPT the dipole
polarizability for each value of the frequency is a 3*3 matrix. I would like
to know if the tow calculations are equivalent. If there are, How can I move
from the matrix to the single value.
Anne Justine ETINDELE
Assistant Lecturer
Higher Teachers Training College University of Yaounde I P.O. Box 47 Yaounde
Cameroon
_______________________________________________
Pw_forum mailing list
[email protected]
http://pwscf.org/mailman/listinfo/pw_forum
