minimisation
 &cntrl
   imin = 1, ntmin = 2, maxcyc = 200,
   ntpr = 20, ntwe = 20,
   dx0 = 1.0D-7,
   ntb = 1,

   icfe = 1, ifsc = 1, clambda = 0.0, scalpha = 0.5, scbeta = 12.0,
   logdvdl = 0,
   timask1 = ':2', timask2 = ':4',
   scmask1 = ':2', scmask2 = ':4',
 /

 &ewald
 / 

