Dear All For my nascent molecular finite element code I am looking for a way to ensure, that the surface meshes used as starting point for volume grids are as symmetrical as possible. This is preferable, since it will preserve parity or other quantum numbers with high numerical accuracy. In the moment I generating the Muffin Tin like mesh via specifying a size parameter that depends on the distance from the nucleus. To improve the symmetry I should maybe start from pre computed surface meshes for the inner and outer surfaces that are obtained via systematic tesselation of the unit sphere etc.
Any pointers on how to do this will be appreciated. regards Moritz -- Prof M Braun Tel.:27-12-4298006/8027 Physics Department Fax.: 27-12-4293643 University of South Africa (UNISA) [email protected] P.O. Box 392 0003 UNISA South Africa http://moritz-braun.blogspot.com
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