c------------------------------------------------------------ dos data/ZnO c------------------------------------------------------------ c brvtyp a c/a b/a alpha beta gamma hcp 6.1415 , 1.602064 , , , , , c------------------------------------------------------------ c edelt ewidth reltyp sdftyp magtyp record 0.001 2.0 sra mjw nmag 2nd c------------------------------------------------------------ c outtyp bzqlty maxitr pmix update 8 200 0.035 c------------------------------------------------------------ c ntyp 2 c------------------------------------------------------------ c type ncmp rmt field mxl anclr conc Zn 1 1 0.0 2 30 100 O 1 1 0.0 2 8 100 c------------------------------------------------------------ c natm 4 c------------------------------------------------------------ c atmicx atmtyp 1/3a 2/3b 0c Zn 2/3a 1/3b 1/2c Zn 1/3a 2/3b 0.3819c O 2/3a 1/3b 0.8819c O c------------------------------------------------------------