[molpro-user] Reg: Help to print the molecular orbitals
Ganga.Periyasamy at ulg.ac.be
Fri Feb 27 13:53:14 GMT 2009
Dear Molpro Users,
I am new to Molpro.
I am trying to print the orbitals and coefficients of the Slater determinant
in the MC-SCF (multi) step from the record file for various excited states
I tried to use the command print,orbitals. In the output it shows that the
orbitals are saved in the files 2140.2., however i am not able to print the
orbitals directly from the wfu file.
How to print the details saved in the wfu file.
Could you please kindly help me to print the orbitals and other details in
the readable format from the WFU file.
thanks in advance
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