subroutine int HIST_MAP real HIST_BVAL read atom * SGX set weight sele atom numb natom end = 1.0 set temp sele atom numb natom end = HIST_BVAL !!!!make map HIST_MAP zero !!!!make map HIST_MAP conv real !!!!make map HIST_MAP atom dens sele atom numb natom end four atom sele atom numb natom end direct refl sele WORK_REFL end delete atom sele atom numb natom end reflect select WORK_REFL end \ set ampl phase fwork = fwork * 1.0 * fcalc * 1.0 return