[Pw_forum] Charge and spin densities on radial grid given by PAW calculations

Jones Tsz-Kai Wan jwan at phy.cuhk.edu.hk
Mon Jan 11 05:20:52 CET 2010


Dear PWSCF users,

I am working on hyperfine tensor and I need very precise description
of charge and spin densities using PAW method. I suppose such
densities are first calculated using radial grid in the code. However,
the charge and spin densities are only given on the regular grid, but
not on the radial grid. Does anyone know how I can obtain the
charge/spin density on radial grid?

Regards,

Jones



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