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
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
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