c------------------------------------------------------------
     go   data/AB
c------------------------------------------------------------
c   brvtyp     a        c/a   b/a   alpha   beta   gamma
     sc       5.0 ,        ,      ,      ,       ,      ,
c------------------------------------------------------------
c   edelt    ewidth    reltyp   sdftyp   magtyp   record
    0.001     1.0       sra      pbe     nmag      init
c------------------------------------------------------------
c   outtyp    bzqlty   maxitr   pmix
    update      1        1      0.023
c------------------------------------------------------------
c    ntyp
      2
c------------------------------------------------------------
c   type    ncmp    rmt    field   mxl  anclr   conc
    A       1       0      0.0     2
                                          NA    100
    B       1       0      0.0     2
                                          NB    100
c------------------------------------------------------------
c   natm
     2
c------------------------------------------------------------
c   atmicx                        atmtyp
      0         0         0       A
      0.1       0         0       B
c------------------------------------------------------------