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Dear Dawid,
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<div>yes, the default is a frozen-core calculation. You can see which orbitals will be frozen by looking near the top of your output towards the end of the integral evaluation.</div>
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<div>best regards,</div>
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<div>-Kirk</div>
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<div>On Feb 9, 2014, at 6:27 AM, Dawid das <<a href="mailto:addiw7@googlemail.com">addiw7@googlemail.com</a>> wrote:</div>
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<div>Dear molpro users,<br>
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I would like to ask whether I understood correctly the following statement in the 20.2.2 chapter of manual:<br>
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"If no <tt>CORE</tt> card is given, the program uses the same core orbitals as the last CI calculation; if there was none, then the atomic inner shells are taken as core."<br>
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Does it mean that by default all of the atomic inner shells will be taken as frozen if I don't use CORE directive at all in my input file?<br>
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Best wishes,<br>
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Dawid Grabarek</div>
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