Help for this page

Select Code to Download


  1. or download this
      $contrl scftyp=rhf RUNTYP=energy coord=unique MULT=1 icharg=0 $end
     $system memory=8000000 $end
     $SYSTEM TIMLIM=600 MEMORY=200000 $END
    ...
    H  1    0.00    0.0     5.76
    H  1    0.00    0.0     8.64                        
     $END
    
  2. or download this
    #/usr/bin/perl 
    use strict;
    
    ...
        print F "$s";
        close (F);
    }
    
  3. or download this
    Global symbol "$contrl" requires explicit package name at write_H4_RHF
    +_aug-cc-pvtz.prl line 4.
    Global symbol "$end" requires explicit package name at write_H4_RHF_au
    +g-cc-pvtz.prl line 4.
    Global symbol "$system" requires explicit package name at write_H4_RHF
    +_aug-cc-pvtz.prl line 4.
    ...
    Global symbol "$DATA" requires explicit package name at write_H4_RHF_a
    +ug-cc-pvtz.prl line 4.
    Global symbol "$END" requires explicit package name at write_H4_RHF_au
    +g-cc-pvtz.prl line 15.
    Execution of write_H4_RHF_aug-cc-pvtz.prl aborted due to compilation e
    +rrors.