[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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