SAVE_FINAL_U1_TO_FILE

The subkey SAVE_FINAL_U1_TO_FILE determines whether the final U1 matix that results from solving the coupled-perturbed Kohn-Sham (CPKS) equations should be saved to file. This may be of use for future programs in ADF that need the U1 matrix (rather than re-calculating it). [Note that this option does not effect the fact that during the running of the SD program, the whole U1 matrix is stored in memory. To alter this see the key-word IO_U1_TO_FILE.]

 

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