Changed the order of reading QE files to .log .out .dynG  This avoids rounding problems Changed the variable name frequencies to frequencies_cm1 Introduced modified_frequencies Added the calculation of the ionic contribution to the permittivity (QE doesnt do this itself....)
Changed the order of reading QE files to .log .out .dynG  This avoids rounding problems
Changed the variable name frequencies to frequencies_cm1
Introduced modified_frequencies
Added the calculation of the ionic contribution to the permittivity (QE doesnt do this itself....)

JohnKendrick/PDielec