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3.8.3 IUNIT

In the case of the input of atomic position coordinates , a unit system is used, when reading things other than an atomic unit system. In the case of IUNIT=0, it is read as atomic unit(a.u.). In the case of IUNIT=1, it is read as Åunit.

原子位置座標の入力の際に単位系を原子単位系以外のものを読み込むときに 使用する。 IUNIT=0の場合は、原子単位(a.u.)),IUNIT=1の場合は、Å 単位として読み込む。


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Next: 3.8.4 IROTSYS Up: 3.8 Input of data Previous: 3.8.2 IAXIS
Copyright (C), Tatsuki Oda (oda@cphys.s.kanazawa-u.ac.jp, Kanazawa University)