[QE-developers] Question about PHonon

[Paolo Giannozzi]

Dear Prof Kobayashi

these two lines are not correct:
     amass(1:15)=12.01
     amass(16:45)=1.01
They should be
     amass(1)=12.01
     amass(2)=1.01
(they are actually not needed, since you have specified the correct atomic
masses in the input of the SCF calculation).
Please also note that there is no end-of-line character at the end of the
namelist. With some compilers this is a source of error.

Paolo
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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