<div dir="ltr">Dear MOLPRO users,<div> I've been computing two-state potential energy curves of same symmetry for A+ - BC type system. For some r(B-C) values the the second state is not smooth with sharp inflections. I circumvented this problem in some cases by increasing n value in 'state,n;'. But in some cases it still persists. Any help is greatly appreciated.</div>
<div><br></div><div>Regards,<br></div><div>Bhargava Anusuri,</div><div>C/O Prof. Sanjay Kumar,</div><div>Chemistry Dept.,</div><div>IIT Madras.</div></div>