//--------------------------------------------------------
// W.Langel 17.3.1999
// Modifikation 25.11.1999
// Umschreiben der .cpi files aus fhi98PP in input fuer cpmd
//--------------------------------------------------------
//
//
// Aufrufe fuer fhi98PP in /pseudo/fhi/fhi98PP/work
// psgen -o 01-H:tm.ini usw.
// pswatch -i 01-H:tm.ini usw.
//--------------------------------------------------------
//element='h';name='01-H'
//element='c';name='06-C'
element='n14';name='07-N14'
//element='o';name='08-O'
//element='s';name='16-S'
//element='cl';name='17-Cl'
//element='ti';name='22-Ti'
//element='pt';name='78-Pt'
[ui,eri]=file('open',home+'/pseudo/fhi/fhi98PP/work/'+name+':tm.cpi','old');
if eri==0 then,
 zv=read(ui,1,2);
 dum=read(ui,10,1,'(a)');
 for im=1:zv(2),
  mesh=read(ui,1,2);
  tt=read(ui,mesh(1),4);
  if im==1 then,
   wfn=tt(:,2);
   pot=tt(:,2);
  end; // if im
  wfn=[wfn,tt(:,3)];
  pot=[pot,tt(:,4)];
 end; // for im
 file('close',ui);
 outfile=home+'/pseudo/fhi/'+element+'.fpp';
 unix('rm -f '+outfile);
 [uo,ero]=file('open',outfile,'new');
 if ero ==0 then,
  write(uo,'&POTENTIAL','(a)');
  write(uo,mesh(1),'(i4)');
  write(uo,pot,'(5e14.6)');
  write(uo,'&END','(a)');
  write(uo,'&WAVEFUNCTION','(a)');
  write(uo,mesh(1),'(i4)');
  write(uo,wfn,'(5e14.6)');
  write(uo,'&END','(a)');
  file('close',uo);
 end; // if ero
end; // if eri