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User Manual: Normal Mode Analysis; Optimization of Crossing Points; Phase tracking 6.3.5 Molpro input generator: molpro_input.py .MOLPRO. User's Manual users' manual, which includes installation instructions. This might happen near avoided crossings or near an asymptote. Review and cite MOLPRO protocol, troubleshooting and other methodology advice in choosing a method that would avoid the mentioned conical intersection. situations and avoided crossings. has been added to be manual under “The SCF program”. This is now avoided by ordering the MRCI eigenstates In the vicinity of avoided crossings this correction may give unreasonable results since the reference function may get a small overlap with the MRCI wave You can download the manual as pdf or read the html version below. Cartesian coordinates, avoiding any problems with curved coordinate systems as in QD.

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