QEF / qeschema

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Fix NEB converter for large (> 100 A) cells #34

Closed afonari closed 2 years ago

afonari commented 2 years ago

get_neb_cell_parameters_card(name, **kwargs) was missing a space in cell format. It was affecting systems with cells larger that 100 A in one side.

DRYed out with get_cell_parameters_card.