[Pw_forum] Errors in examples of QuantumEspresso

Paolo Giannozzi giannozz at democritos.it
Wed Jul 8 12:37:52 CEST 2009


On Jul 8, 2009, at 13:15 , leila salimi wrote:

>  from ewald : error #         1
>      optimal alpha not found

wasn't it explained a few days ago by LP? newer IBM
compilers have made a mess with the error function
(erf, erfc)

P.
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222






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