c-------------------------fccFe------------------------------ go data/fccFeFMG c------------------------------------------------------------ c brvtyp a c/a b/a alpha beta gamma fcc ABOHR , , , , , , c------------------------------------------------------------ c edelt ewidth reltyp sdftyp magtyp record 0.001 2.0 sra gga91 mag 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 Fe 1 1 0.0 2 26 100 c------------------------------------------------------------ c natm 1 c------------------------------------------------------------ c atmicx atmtyp 0 0 0 Fe c------------------------------------------------------------ c-------------------------fccFe------------------------------ dos data/fccFeFMG c------------------------------------------------------------ c brvtyp a c/a b/a alpha beta gamma fcc ABOHR , , , , , , c------------------------------------------------------------ c edelt ewidth reltyp sdftyp magtyp record 0.001 2.0 sra gga91 mag 2nd c------------------------------------------------------------ c outtyp bzqlty maxitr pmix update 16 200 0.023 c------------------------------------------------------------ c ntyp 1 c------------------------------------------------------------ c type ncmp rmt field mxl anclr conc Fe 1 1 0.0 2 26 100 c------------------------------------------------------------ c natm 1 c------------------------------------------------------------ c atmicx atmtyp 0 0 0 Fe c------------------------------------------------------------