On 16/01/18 09:15, Ubaid Mohd wrote: > /For example, in the given output file, unit of charge???/
They are in units of electron charge, i.e. 1 = one electron > Also, How to find the charge transfer from molecule to the sheet or vice > versa?// You study the sheet alone, the molecule alone and you compare? kind regards -- Lorenzo Paulatto - UPMC Paris 6/CNRS _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
