On Jan 4, 2007, at 12:17 , wlyim at puccini.che.pitt.edu wrote: >> There is also a division by another quantity (dz) that is never >> smaller >> than 1.d-6 by construction.
actually I misinterpreted the definition of dz: dz is never LARGER then 1.d-6 by construction. You can simply set dz to a fixed value: 1.d-6, or 1.d-4 . Paolo --- Paolo Giannozzi, Democritos and University of Udine, Italy
