Hi Bob,
isosurface VOLUMEreports the volume of the isosurface and stores this number in the isosurfaceVolume variable.
Great!
Don't expect meaningful results with unclosed isosurfaces....
I these cases, could you not use the unit cell faces to "close" the isosurfaces? This would give the volume per unit cell, which may be interesting for zeolites.
Christian Dr. Christian Baerlocher Lab. of Crystallography ETH Zürich Wolfgang-Pauli-Strasse 10 CH-8093 Zürich Email: [email protected]
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