--- phagen_scf.orig.f	2019-06-05 16:45:52.977855859 +0200
+++ phagen_scf.f	2019-05-09 16:32:35.790286429 +0200
@@ -174,6 +174,99 @@
  1100 format(//,1x,' ** phagen terminated normally ** ',//)
       end
 
+
+c-----------------------------------------------------------------------
+      subroutine libmain(infile,outfile,etcfile)
+c      main calculation routine
+c      entry point for external callers
+c
+c      infile: name of parameter input file
+c
+c      outfile: base name of output files
+c        output files with endings .list, .clu, .pha, .tl, .rad
+c        will be created
+c-----------------------------------------------------------------------
+      implicit real*8 (a-h,o-z)
+c
+      include 'msxas3.inc'
+      include 'msxasc3.inc'
+
+      character*60 infile,outfile,etcfile
+      character*70 listfile,clufile,tlfile,radfile,phafile
+
+c
+c.. constants
+      antoau  = 0.52917715d0
+      pi      = 3.141592653589793d0
+      ev      = 13.6058d0
+      zero    = 0.d0
+c.. threshold for linearity
+      thresh  = 1.d-4
+c.. fortran io units
+      idat = 5
+      iwr = 6
+      iphas = 30
+      iedl0 = 31
+      iwf = 32
+      iof = 17
+
+      iii=LnBlnk(outfile)+1
+      listfile=outfile
+      listfile(iii:)='.list'
+      clufile=outfile
+      clufile(iii:)='.clu'
+      phafile=outfile
+      phafile(iii:)='.pha'
+      tlfile=outfile
+      tlfile(iii:)='.tl'
+      radfile=outfile
+      radfile(iii:)='.rad'
+
+      open(idat,file=infile,form='formatted',status='old')
+      open(iwr,file=listfile,form='formatted',status='unknown')
+      open(10,file=clufile,form='formatted',status='unknown')
+      open(35,file=tlfile,form='formatted',status='unknown')
+      open(55,file=radfile,form='formatted',status='unknown')
+      open(iphas,file=phafile,form='formatted',status='unknown')
+
+      open(iedl0,form='unformatted',status='scratch')
+      open(iof,form='unformatted',status='scratch')
+      open(unit=21,form='unformatted',status='scratch')
+      open(60,form='formatted',status='scratch')
+      open(50,form='formatted',status='scratch')
+      open(unit=13,form='formatted',status='scratch')
+      open(unit=14,form='formatted',status='scratch')
+      open(unit=11,status='scratch')
+      open(unit=iwf,status='scratch')
+      open(unit=33,status='scratch')
+      open(unit=66,status='scratch')
+
+      call inctrl
+      call intit(iof)
+      call incoor
+      call calphas
+
+      close(idat)
+      close(iwr)
+      close(10)
+      close(35)
+      close(55)
+      close(iphas)
+      close(iedl0)
+      close(iof)
+      close(60)
+      close(50)
+      close(13)
+      close(14)
+      close(11)
+      close(iwf)
+      close(33)
+      close(66)
+      close(21)
+
+      endsubroutine
+
+
       subroutine inctrl
       implicit real*8 (a-h,o-z)
       include 'msxas3.inc'