[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
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  di Genova
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