position coordinates in the struct file of WIEN2k code?

01 August 2023 1 9K Report

Can anyone tell me what is the unit of the position coordinates in the struct file of WIEN2k code?

Dear Karina, the coordinates of any atom are given in fractional values of the lattice constant of the structure used for the calculation. On the other hand, the value of the lattice constant can be given in the "struct file" in one of the following two units: angstrom or bohr.

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