[Pw_forum] Masses in .dyn file
Marino Vetuschi Zuccolini
zucco at dipteris.unige.it
Mon Oct 16 16:26:54 CEST 2006
Dear Eyvaz,
as the question I posed reveal I'm walking thru a stony road, where for
each answer you find at least one other question is at the horizon.
To answer more directly I will use your code when I understand more or
less clearly what I am doing. I continue with MgO exercise and step by
step I will arrive to an end..
I suppose I contact you soon.
Many thanks to you, and to all
m.
On 16 Oct 2006, at 4:11 PM, Eyvaz Isaev wrote:
> 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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*******************************************************
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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