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Re^8: Lack of force constants for bending vibrations in the output file


Hi to all,
for those who are interested in the calculation discussed here, I have attached a file with the description of the format and the minimum necessary data to calculate the force constants by the Wenli Zou et al' method (data should be introduced in the PUNCH file.)


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[ Format of PUNCH_Wenli Zou et al method.txt ]

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