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Reading CHGCAR and POTCAR directly #342

@ondrejkrejci

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@ondrejkrejci

@mondracek found out that not every CAR -> xsf converter follow the xsf rules, thus to ommit problems it would be good, to go directly from vasp output.

an idea could be here: https://pyscf.org/_modules/pyscf/tools/chgcar.html

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