[Pw_forum] Masses in .dyn file

Marino Vetuschi Zuccolini zucco at dipteris.unige.it
Mon Oct 16 15:47:06 CEST 2006


Hello to all,
browsing the .dyn file about MgO, the header of the file is reported 
below the message. The numbers that in the code are written by ph.x 
(and read by others tools) after atomic symbols as atomic masses, 
evidently they are not, and change as the masses in &inputph section 
statement change. Are they related to reduced masses?

I try to understand the meaning from the source but the result was not 
so good...

Thanks in advance

m.

excerpt from MgO.dyn file

Dynamical matrix file

   2    2  2  7.9340000  0.0000000  0.0000000  0.0000000  0.0000000  
0.0000000
  1  'Mg  '  22150.7811076348844
  2  'O   '  14580.9646961962790
...


*******************************************************
Marino Vetuschi Zuccolini
zucco at dipteris.unige.it
PhD / Geochemist
Laboratory of Geochemistry
http://www.dipteris.unige.it/geochimica

Visit our BAXEICO computing cluster homepage
http://qed.dipteris.unige.it/ganglia -- out of service

DIPartimento per lo studio della TErra e delle sue RISorse - Università 
  di Genova
Tel. ++39 010 3538136 Fax. ++39 010 352169
Corso Europa 26, 16132 - Genova - Italy
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