[Pw_forum] convergence of SCF calculation of C6H8

Paolo Giannozzi giannozz at democritos.it
Mon Nov 5 21:12:38 CET 2012


Attached my input and output

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






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