[Pw_forum] so large magnitude in phonon calculation

Paolo Giannozzi giannozz at democritos.it
Tue Mar 23 08:49:50 CET 2010


On Mar 23, 2010, at 5:51 , Fanshun-Meng wrote:

>   if I  use "occupied = tetrahedra" in SCF calculation

you shouldn't use 'tetrahedra' for forces and phonon calculations

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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