[Pw_forum] atomic mass for virtual atom

Payam Norouzzadeh payam.norouzzadeh at gmail.com
Sun Apr 25 04:35:44 CEST 2010


Hello All

Does anyone know how can I calculate atomic mass for a virtual atom?
For example, if  I mix two atoms with atomic masses 10 and 20 with 60% and
40% contribution what will be the atomic mass for virtual atom?
I need it to insert in input file in front of ATOMIC_SPECIES flag.

Best regards,Payam Norouzzadeh
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