On Sun, Aug 15, 2021 at 4:23 PM Truman Ng Yu <[email protected]> wrote:
Running the following in QE 6.7 has no issues with pw.x and bands.x > "The following" differs from "the above". The kind of problem you describe is invariably due to the usage of ibrav=0 with almost symmetric lattice parameters and/or atomic positions. In any case, please open an issue on gitlab with all needed data (input and output of ALL steps of the calculation) and a CLEAR description of what you did. 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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