On Thu, Feb 4, 2021 at 3:56 PM ABDELHAMID AIT M\'HID < [email protected]> wrote:
> since ibrav=4, a and c seems to be bad description of cell parameters try > to use celldm(1) (in bohr) and celldm(3) instead (read pw.x input > description) > using a and c is 100% equivalent to using celldm(1) and celldm(3), as long as their values are correctly set in the correct units Paolo -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 206, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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