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janosh
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Jun 9, 2024
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| # Care should be taken: if a GGA tag is not specified, VASP will default | ||
| # to the functional specified by the POTCAR. It is not clear how | ||
| # VASP handles the "--" value. |
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It is not clear how VASP handles the "--" value.
i think @esoteric-ephemera figured out what happens for --
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It still runs but it's not a great practice for clarity of results
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VASP 6.4.3 introduced additional white space in the values of some parameters in the vasprun.xml, for example
<i type="string" name="GGA ">PE</I>. This leads to incorrect determination ofrun_type.