[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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