About SAPT (DFT)

#1

How the appropriate value for “sapt_dft_grac_shift_a” and " sapt_dft_grac_shift_b" should be determined prior to running a SAPT (DFT) task?

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#2

Hm, the SAPT(DFT) code is currently undergoing testing, so unfortunately I can’t recommend using it at the present time. My student Yi is testing it.

Best,
David

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SAPT(DFT) wB97X-V Error
#3

Dear Professor Sherrill,

It’s my great pleasure to receive a comment from you.

Too many thanks for your kindly attention to notify me with your much valuable comment.

Sincerely,

Saeed

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