| 12:53:17 PM PDT - Mon, May 5th 2014 |
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Hi,
I found that the ADZP and DZP basis sets miss their "Cr" atom data. The original authors' website (http://www.cce.ufes.br/qcgv/pub/) has it.
Also, I suspect there is data corruption or incorrect raw data in the "Te" atom--when dialed, it resulted in this kind of error:
Quote:
java.rmi.RemoteException: An unexpected exception occuredNext contraction ends before the start of the previous one, not allowed!; nested exception is:
com.sourceforge.knecs.util.converters.FormatException: Next contraction ends before the start of the previous one, not allowed!
I suspect the same problems exist in the other sets (ATZP, TZP, AQZP, QZP, etc).
Wirawan
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