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Dear Molpro users,<br><br>I'm trying to calculate the transition dipole moment between different states. My input file is shown below:<br><br>memory,600,m<br>gprint,orbital,civector<br>file,2,/scratch/ranaobaid/wfu/wfb1c210<br>file,3,/scratch/ranaobaid/wfu/wfb2c210<br>{ci;trans,6030.3,7020.2}<br><br>When I submit it, I get the following error massage:<br><br> Ket wavefunction restored from record 7020.2 to file 8<br> Bra wavefunction restored from record 6030.3 to file 7<br> ====>>> Error: both KET and BRA geometries differ from current: not allowed<br><br> ERROR EXIT<br><br>Will you please help me to solve the problem?<br><br>Note: I tried to calculate it between other states than those calculated above and it worked.<br><br>Thanks in advance,<br>Rana.<br> </div></body>
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