[Wien] x symmetry information

Aaron nkleof at gmail.com
Tue Jul 28 10:35:26 CEST 2009


Dear Wien2k developers and users:

    There is a message in the stage of 'x symmetry' while initializing
calculation, which I didn't meet before. It says:   alpha(3) .lt. 88.0;
reset to 90.1
    Does it mean one angle of the basis vectors of unit cell has been
changed? I want to know if the message means there is some abnormal with my
structure.
    Any explanation will be appreciated.

Best regards,
Aaron
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