Capolanco #32
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added 3 commits
December 7, 2022 00:48
…t files. Create functions to read the input and create other inputs base on the class. For the moment this only works for kgrid.
…os files until achieving convergence. This program should work in principle for any valid input given in QE
…eated a class to handle cluster jobs.
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Initial convergence code RunConvergence.py running on fictitious files.
In principle it should be able to run with any valid input from QE