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Alexey A. Soluyanov
Curriculum Vitae |

using the output of first-principles packages.

The package is a Fortran/Python implementation of the method described in *Phys. Rev. B 83, 235401 (2011)* to compute the Z

- version 0.1 (beta) (Jan 4, 2013)
- version 0.2 (under construction)

Supports: Abinit; norm-conserving pseudopotentials

Supports: Abinit and Quantum Espresso; norm-conserving and ultrasoft pseudopotentials

NOTE: Quantum Espresso application was developed by Davide Ceresoli and is available here