c----------------------Fe------------------------------------ go data/bctFe_OMEGA_ETA c------------------------------------------------------------ c brvtyp a c/a b/a alpha beta gamma bct ABOHR , ETA , , , , , c------------------------------------------------------------ c edelt ewidth reltyp sdftyp magtyp record 0.001 2.4 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 RMTA 0.0 2 26 100 c------------------------------------------------------------ c natm 1 c------------------------------------------------------------ c atmicx(in the unit of a) atmtyp 0 0 0 Fe c------------------------------------------------------------