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= About CPPAW =

CPPAW is a computer program for the calculation of the electronic and atomic structure of materials and molecules. The electrons are described quantum mechanically on the basis of density-functional theory (DFT) and the projector augmented wave (PAW) method. The motion of the atoms is described with ab-initio molecular dynamics (AIMD), in the implementation of Roberto Car and Michele Parrinello (CP).

start.1639410571.txt.gz · Last modified: 2021/12/13 15:49 by pbloechl

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