hi
espresso users
i want to obtain the charge density of si in example 5. but when i use pp.x
calculation with &inputpp namelist, after scf , give this error:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine postproc (1):
reading inputpp namelist
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
what is my mistake ?
best regard
ehsan targholi
graduate student of iust
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