+ estimated=1;
+ if(fccdia=='1') estimated*=2;
+ if(type=='1') estimated*=2;
+ if(type=='2') estimated*=4;
+ estimated*=x*y*z;
+
+ // print POSCAR 'header'
+
+ printf("cubic diamond\n");
+ printf(" 5.429\n");
+
+ v3_scale(&h,&basis[0],x);
+ printf(" %.5f %.5f %.5f\n",h.x,h.y,h.z);
+ v3_scale(&h,&basis[1],y);
+ printf(" %.5f %.5f %.5f\n",h.x,h.y,h.z);
+ v3_scale(&h,&basis[2],z);
+ printf(" %.5f %.5f %.5f\n",h.x,h.y,h.z);
+
+ printf(" %d\n",estimated);
+ printf("selective dynamics\n");
+ printf("direct\n");
+
+ // now print the coordinates
+