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MACS C A COMPUTING PROGRAM FOR CRYSTAL VIBRATIONS WHICH INCLUDES LONG-RANGE COULOMB INTERACTIONS

机译:maCs C一种包含长距离库仑相互作用的晶体振动计算程序

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The program described here is one of a collection of computer programs aimed at giving maximum capability for calculating the slow-neutron scattering by moderators.nThe program calculates crystal vibrations when the potential energy is a sum of parts arising from short-range forces and long-range Coulomb interactions. It also calculates and punches Jacobian matrices for use in determining adjustments in force constants and ionic charge which can lead to improved agreement with data. Finally, structure factors for neutron inelastic scattering can be calculated.

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