aiidateam / qe-tools

A set of useful tools for Quantum ESPRESSO
MIT License
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Fix OLD version of ibrav=-13. #38

Closed greschd closed 4 years ago

greschd commented 4 years ago

Fixes #37.

There was an error in the pw.x documentation, according to which the ibrav=-13 parsing was implemented. As a result, the "OLD" version of the parsing was incorrect, which is now fixed. Also, the QE version in which the new ibrav=-13 was introduced is 6.5, not 6.4.1. The conditional for this switch is also fixed.