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#1 2024-07-12 14:22:15

AndreCaro97
Member
Registered: 2024-07-12
Posts: 1

Initial Density Matrix file in the module RHODYN

Hello, I'm currently using the module RHODYN to generate dynamics of a system. In the manual is shown that it is possible to use an initial density matrix generated by the user with the keyword INDENS. However, I do not know how this density matrix should be. Does someone know how this file should be?

Thanks

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