Fix Select Atoms in Relax Calculation

[mikeatm]

QE supports fixing atomic positions, (see here and here ) i saw its mentioned somewhere in aiida-core here as well , is there any more documentation for this in aiida-quantumespresso?

[sphuber]

https://aiida-quantumespresso.readthedocs.io/en/latest/howto/calculations/pw.html#how-to-fix-the-coordinates-of-atoms