Error with ZORA and MP2

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SILOS VEGA HECTOR XOLOTL

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Oct 4, 2020, 12:08:34 AM10/4/20
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Hi eveyone 
I am trying to use zora with mp2 but i get error message. Does any idea about problem?

Thanks in advance for you answer.


--

“2020, ochenta aniversario de la Universidad de Colima”

output.txt
Input.txt

Edoardo Aprà

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Oct 6, 2020, 12:39:59 PM10/6/20
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 Unfortunately, ZORA can be used only with task dft since the implementation in the scf module has not been completed yet.


PS ZORA requires all-electron basis sets
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