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Using Data from TAPE21An ASCII dump of TAPE21 (complete or partial) can be obtained with the kf utility dmpkf, see the utilities document. Alternatively you may build your own small program to extract any required information, using the KF library routines in the adf package. Consult the KFS documentation for a description of this software. Representation of functions and frozen coresEvaluation of the charge density and molecular orbitals | |