Dear Wien2k developers and users:<br><br> 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<br> 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.<br>
Any explanation will be appreciated.<br><br>Best regards,<br>Aaron<br>