2f_output_file_description - WatsonGroupTCD/J2suscep GitHub Wiki

Description of Output File

The format of the output file is as follows:

Output file sections Description
Number of Magnetic centers:      6
g value: 1.9980
Temperature range to be used (K): 2.0000 - 300.0000
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Details of the input parameters and the Hamiltonian that will be used.
J value (cm-1) with the pairs on which they act
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This section specifies the interactions that are accounted for by a given J-value and should reflect the input Hamiltonian.
Temperature       Chi      Chi*Temp
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This section gives the χ and χT values at different temperatures.
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