c------------------------------------------------------------ go data/CohesiveSi_ABOHR c------------------------------------------------------------ c brvtyp a c/a b/a alpha beta gamma fcc ABOHR , , , , , , c------------------------------------------------------------ c edelt ewidth reltyp sdftyp magtyp record 0.001 1.0 nrl mjw mag 2nd c------------------------------------------------------------ c outtyp bzqlty maxitr pmix update 4 1000 0.01 c------------------------------------------------------------ c ntyp 2 c------------------------------------------------------------ c type ncmp rmt field mxl anclr conc Si 1 1 0.0 2 14 100 Vc 1 1 0.0 2 0 100 c------------------------------------------------------------ c natm 4 c------------------------------------------------------------ c atmicx(in the unit of a) atmtyp 0 0 0 Si 1/4 1/4 1/4 Si 1/2 1/2 1/2 Vc 3/4 3/4 3/4 Vc c------------------------------------------------------------