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Author Topic: rare earth elements basis set  (Read 3926 times)

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Offline marmotte

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rare earth elements basis set
« on: December 2, 2013, 14:18 »
Dear ATK, could you please help to find the basis set of some rare element atoms such as :Pr, Nd, Sm, Eu ? I will apply +U correction also.

Thank you
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Offline Anders Blom

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Re: rare earth elements basis set
« Reply #1 on: December 2, 2013, 15:36 »
We are working on new basis sets in general, but these elements are tricky by nature (sic!) and it will not be trivial.
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Offline marmotte

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Re: rare earth elements basis set
« Reply #2 on: May 28, 2014, 15:11 »
Dear Anders,
is there any news about rare earth basis set ?
Best regards,
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Offline Anders Blom

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Re: rare earth elements basis set
« Reply #3 on: June 2, 2014, 22:01 »
For some of these elements we do indeed have new sets included with ATK 2014. I haven't tested them myself yet though...
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