On Mon, Jun 3, 2019 at 12:22 PM Offermans Willem <[email protected]> wrote:
> Is centering ( symmetrical with respect to z=0) of the supercell a general > requirement? > no it's not -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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