civecs

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Matteo De Santis

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Dec 9, 2020, 5:33:02 PM12/9/20
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Hi,
I would like to print out the CI vectors. I added the "civecs" keyword in the tddft module, but the resulting file *.civecs_singlet seems to be written in a non-ascii format. In addition what is the normalization condition of the ci coefficients i.e
Occ.    3  a   ---  Virt.    7  a    0.09054 X
Occ.    4  a   ---  Virt.    6  a   -0.99527 X
Thanks in advance
Mat
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