thank you so much, I have done it on the output PP files in a weighed way as the header in average.x says, and it worked.. only to confirm what I got, please correct me if I am wrong. the first column is the z direction in bohr unit the second is the average electronic charge at this specific point in z plane. the third is the macroscopic average for the charges at this specific point in z plane
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
