- 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
$END
- or download this
#/usr/bin/perl
use strict;
...
print F "$s";
close (F);
}
- 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.