I need a help on restarting the single point energy calculations. My input file for start and restart calculations are as follows.
file name C21.nw
echo
title "C17beta"
memory stack 1000 mb heap 50 mb global 950 mb
start C17beta
charge 0
Geometry
end
basis
end
SCF
Doublet
maxiter 200
ROHF
end
Task scf
Restarting calculations in the directory where C17beta.db ..movecs and all other file exist with the following input file
echo
title "C17beta"
memory stack 1000 mb heap 50 mb global 950 mb
restart C17beta
charge 0
Geometry
end
basis
end
SCF
Doublet
maxiter 200
ROHF
end
Task scf
start: rtdb_open old failed 0
------------------------------------------------------------------------
An error occured in the Runtime Database
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
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