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3.3 The number of types of atoms,the magnetic state, the real wave function,k-sampling,Option of constrained spin(原子の種類の数、磁性状態、実波動関数、kサンプリング、スピン拘束の指定) 

1  2  1  0  0  0   NSP NSPIN JRLWF JKSMP JCNST JPMGC


Subsections
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Copyright (C), Tatsuki Oda (oda@cphys.s.kanazawa-u.ac.jp, Kanazawa University)