Selected CI from a previous MCSCF computation error

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Dear developers and users of NWChem,

I am new to the field of multiconfigurational methods and trying to do selected CI, pick as an initial CI reference the previously executed MCSCF. The MCSCF converged normally, but when I tried to do CI, the following error was encountered:

================== echo of input deck ==================
title "casscf/SDD-60 electron core relativistic Mult 1"
memory total 2000 mb
echo
start ta2
charge 0
geometry units angstroms
symmetry d2h
Ta 0.000000000 0.000000000 1.11063435
end
basis "ao basis" spherical PRINT
Ta library crenbl_ecp
end
ecp
Ta library crenbl_ecp
end
SCF
RHF
SINGLET
END

TASK SCF ENERGY

MCSCF
ACTIVE 12
ACTELEC 10
MULTIPLICITY 1
END
TASK MCSCF OPTIMIZE
ecce_print ecce.casscf.out

Input file for CI:

restart ta2
set fourindex:occ_frozen 1

set selci:mode select

set "selci:selection thresholds" \

   0.001 0.001 0.0001 0.0001 0.00001 0.00001 0.000001

task selci


Last few lines for the output file for CI:

        Time for two-index transform:          1.6s

        Effective frozen-core energy:         14.4351941057


                 16                    7                    4                    6  -2.6222961273078260E-009




moints: integral zero by sym 0







current input line :

   6:  task selci







There is an error related to the specified geometry




For more information see the NWChem manual at http://www.nwchem-sw.org/index.php/NWChem_Documentation



For further details see manual section:


Any suggestion would be of great help. Thank you in advance for your response.


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