[molpro-user] g and h vectors in conical intersection calculation

[임정식]

I have recently optimized the CI geometry in MOLPRO programs.

I want to check the g (gradient difference) and h (interstate coupling)
vectors in output, but I can’t.

Somewhat confusing words prevent me understand the meaning of output.

Please comment the way to find out the g and h vectors in following values.

 

  Gradient Difference

  Derivative Coupling before scaling

  Derivative Coupling after scaling

  Gradient inside Branching Plane

  Gradient inside Intersection Space

 

Thanks.

 

 

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