Can we compute response from LUCITA?
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Carles
Jun 15, 2025, 7:43:42 AMJun 15
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Hi,
I am trying to compute quadratic response properties after a GASCI calculation with .LUCITA. The CI converges and the CHECKPOINT.h5 is written correctly, but any attempt to activate *RESPONSE fails, either it is ignored or gives errors like "Illegal directory in PSIINP".
Is quadratic response from LUCITA wavefunctions currently implemented? If not, is it planned for future versions?
Thank you in advance!
I am trying to compute quadratic response properties after a GASCI calculation with .LUCITA. The CI converges and the CHECKPOINT.h5 is written correctly, but any attempt to activate *RESPONSE fails, either it is ignored or gives errors like "Illegal directory in PSIINP".
Is quadratic response from LUCITA wavefunctions currently implemented? If not, is it planned for future versions?
Thank you in advance!
Carles
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