subroutine elementdatabase(elem_z,elem_name)
implicit none
!#@# KKRtags: VORONOI visualization core-electrons
!#@# KKRmerge: can be simplified strongly
! -----------------------------------------------------------
! This is an element batabase
! It takes as input the atomic number ELEM_Z
! and returns the element name
! ------------------------------------------------------------
! ...Input
REAL*8 ELEM_Z
! ...Output
CHARACTER*3 ELEM_NAME
! ...Local variables
CHARACTER*3 DATA1(0:113)
INTEGER IN_Z
DATA DATA1/'H1 ',
& 'H ','He ','Li ','Be ','B ','C ','N ','O ','F ','Ne ',
& 'Na ','Mg ','Al ','Si ','P ','S ','Cl ','Ar ','K ','Ca ',
& 'Sc ','Ti ','V ','Cr ','Mn ','Fe ','Co ','Ni ','Cu ','Zn ',
& 'Ga ','Ge ','As ','Se ','Br ','Kr ','Rb ','Sr ','Y ','Zr ',
& 'Nb ','Mo ','Tc ','Ru ','Rh ','Pd ','Ag ','Cd ','In ','Sn ',
& 'Sb ','Te ','I ','Xe ','Cs ','Ba ','La ','Ce ','Pr ','Nd ',
& 'Pm ','Sm ','Eu ','Gd ','Tb ','Dy ','Ho ','Er ','Tm ','Yb ',
& 'Lu ','Hf ','Ta ','W ','Re ','Os ','Ir ','Pt ','Au ','Hg ',
& 'Tl ','Pb ','Bi ','Po ','At ','Rn ','Fr ','Ra ','Ac ','Th ',
& 'Pa ','U ','Np ','Pu ','Am ','Cm ','Bk ','Cf ','Es ','Fm ',
& 'Md ','No ','Lr ','Rf ','Db ','Sg ','Bh ','Hs ','Mt ','Uun',
& 'Uuu','Uub','NoE'/
! --------------------------------------------------------------------
! Get the integer part of the atomic number
IN_Z = ELEM_Z
IF (ABS(FLOAT(IN_Z)-ELEM_Z).GT.1.D-6) IN_Z = 113
IF ((IN_Z.LT.0).OR.(IN_Z.GT.113)) THEN
WRITE (6,*) ' Ooops, This atomic number does not exist!'
WRITE (6,*) ' ERROR in elementbatabase'
STOP
END IF
ELEM_NAME = DATA1(IN_Z)
1000 format(2A8,I3,1X,3F8.4,1X,A24)
RETURN
END
