[Pw_forum] Masses in .dyn file

Eyvaz Isaev eyvaz_isaev at yahoo.com
Mon Oct 16 16:11:05 CEST 2006


Hi Marino,

>    2    2  2  7.9340000  0.0000000  0.0000000 
> 0.0000000  0.0000000  
> 0.0000000
>   1  'Mg  '  22150.7811076348844
>   2  'O   '  14580.9646961962790
> 
Atomic masses taken from matdyn.in file (which are
from The Periodic Table) were converted to atomic
units. Please find amconv  parameter in matdyn.f90 to
know what is a conversion unit. 

By the way did you find fhqa.f90 useful?

Bests,
Eyvaz. 

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