Calculated structure electron density (PAW)

Running Abinit Response calculations
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1

I using PAW to calculate the response of diamond cell under electric field. According to the description of PRTDEN=3, I have constructed “core_density_atom_type1.dat” and “value_density_atom_type1.dat” Use the ATOMPAW . But the calculation stops when an error is reported. Dear friends, I hope you can tell me how to build core density and valence electron density files? For uploading, the suffix is changed to “in”.

Best wishes
core_density_atom_type1.in (32.1 KB)
valence_density_atom_type1.in (32.1 KB)

2

Dear user,

could you tell us what is the reported error together with the input files please?

Joao Abreu