c------------------------------------------------------------ go data/Cu_VEXC_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 sra VEXC nmag 2nd c------------------------------------------------------------ c outtyp bzqlty maxitr pmix update 8 200 0.023 c------------------------------------------------------------ c ntyp 1 c------------------------------------------------------------ c type ncmp rmt field mxl anclr conc Cu 1 1 0.0 2 29 100 c------------------------------------------------------------ c natm 1 c------------------------------------------------------------ c atmicx atmtyp 0 0 0 Cu c------------------------------------------------------------