[molpro-user] MEP calculation

yuyq at iccas.ac.cn yuyq at iccas.ac.cn
Mon Dec 26 03:01:26 GMT 2011

Dear MOLPRO users,

  I am trying to calculate MEP at the CASSCF level with MOLPRO2010. The MOLPRO manual indicates that the MEP calclation with slapaf can be performed. It seems from  manual that the MEP calculation with slapaf should be combined with the optimization under constraint of radius of sphere. But an option for setting the radius constraint in optimization can not be found in manual. Is it possible to calculate MEP by using slapaf in MOLPRO2010?

Best regards,
youqing yu

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