<div dir="ltr"><div>Dear molpro users,<br><br></div><div>I am wondering whether my calculations are actually running.<br></div><div>When I check the output in scratch I can see that CI program has benn called:<br><br>1PROGRAM * CI (Multireference internally contracted CI) Authors: H.-J. Werner, P.J. Knowles, 1987<br>
<br><br> Convergence thresholds: THRVAR = 1.00D-08 THRDEN = 1.92D-06<br><br> Number of optimized states: 5 Roots: 1 2 3 4 5<br> Number of reference states: 5 Roots: 1 2 3 4 5<br><br></div><div>And that's it. Does it mean, that calculations are actually being run or the program stalled?<br>
<br></div><div>I also attach complete output.<br><br></div><div>Maybe there's something wrong with input after all?<br><br></div><div>Best wishes,<br>Dawid Grabarek<br></div><div><br><br></div></div>