Good day everybody
I want to do some calculations on a crystal whose atomic coordinates are given
in fractional coordinates
How do I convert the fractional coordinates to quantum espresso unit of atomic
coordinates
Which flag do I need to use is it (crystal), (alat), (Bohr) or (angstrom)
I appreciate everyone support towards answering questions to educate pwscf
users
Agbaoye Ridwan OlamideFederal University of Agriculture, AbeokutaM.Sc. (in view)
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