[Pw_forum] Re:Re:vc-relax (Eric Abel)

cesards at msi.umn.edu cesards at msi.umn.edu
Thu Sep 14 02:39:48 CEST 2006

Dear Eric,

Supposing you set the atomic masses to the average of real atomic masses
in amu (for faster convergence, all atoms must have equal masses),
reasonable dt is in the range 50 to 100. wmass is 10^(-2) or smaller.


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