I use ccsdt method to run the tce task, while there is an error which I couldn't handle it. Could you give me some help?
The input file like this:
start cl-cl
title "Cl2F, cc-pVDZ basis, SCF optimized geometry"
geometry noautosym
Cl 0.0000 0.5582 0.0000
Cl 8.0000 0.5582 0.0000
end
basis
Cl library cc-pVDZ
end
SCF
triplet
ROHF
END
TCE
SCF
CCSDT
END
TASK TCE ENERGY
the error results show:
CCSDT iterations
--------------------------------------------------------
Iter Residuum Correlation Cpu Wall
--------------------------------------------------------
ccsdt_t3_8_5_1 2
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
------------------------------------------------------------------------
For more information see the NWChem manual at http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
ccsdt_t3_8_5_1 2
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
------------------------------------------------------------------------
For more information see the NWChem manual at http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
ccsdt_t3_8_5_1 2
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
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