Hi Galina,
that is possible, but you have to spend some time in define menus and
check afterwards carefully on the atom or on small model systems, if it works correctly.
Put an Ce atom in coord, use i symmetry, then choose mkeht in define.
Choose y at 'DO YOU WANT THE DEFAULT OCCUPATION ASSIGNMENT FOR ATOMS ?' and
move carefully through the menus. If you don't know the Roothaan parameter try 'val'.
A data group $ehtao will be written to control. This can be added in $TURBODIR/basen/ce.
The data group
$ehtdef definitions= 1
has to be adjusted here also to
$ehtdef definitions= 2
with the entries from control.
This is in principle the way, but I don't know what problem might occur on the way.
Hope it helps,
Arnim