[Wien] Unit in struct file

2010-01-06 Thread b...@notes.cc.sunysb.edu
Dear Dr. Blaha, When constructing a case.struct file using w2web, the lattice constants entered using the unit of Angstrom will be converted Bohr in the saved file, but the label above the lattice constant in case.struct file is kept as unit=ang. Is this intentional? Baosheng Li

[Wien] Unit in struct file

2010-01-06 Thread Stefaan Cottenier
When constructing a case.struct file using w2web, the lattice constants entered using the unit of Angstrom will be converted Bohr in the saved file, but the label above the lattice constant in case.struct file is kept as unit=ang. Is this intentional? Yes, it is. This label is only meant