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DSTART (superposition of atomic densities)

This program generates an initial crystalline charge density case.clmsum by a superposition of atomic densities generated with LSTART. Information about LM values of the lattice harmonics representation and number of Fourier coefficients of the interstitial charge density are taken from case.in1 and case.in2. In the case of a spin-polarized calculation it must also be run for the spin-up charge density case.clmup and spin-down charge density case.clmdn.



 


2000-04-11