[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100425/180bf1b8/attachment.html>
    
    
More information about the users
mailing list