[Pw_forum] filelph question

Miguel Martinez wmbmacam at lg.ehu.es
Mon Nov 7 11:00:32 CET 2005


Dear people,

It seems that my e-mail thanking Paolo Gianozzi for his answer was lost. 
Anyway, after reading this:

> you are reading from the standard output of program ph.x
> instead of reading from file 'filelph'

I wondered if I had to redo all my calculations. Due to the large queues 
in my cluster, I submitted a corrected script "just in case". However, I 
suspect I can manually write all the filelph I need.

It seems that filelph has the following format:

qx qy qz  10???  3???
  omega1^2   omega2^2	omega3^2
[  Gaussian Broadening:   0.010 Ry, ngauss=   1
[  DOS =  1.571120 states/spin/Ry/Unit Cell at Ef=  8.320255 eV
[  and all those values I can find at the phonon output.

So I wonder:
a) What do the last two numbers of the first line mean?
b) What are the omega^2 units?
c) Is there any line I could omit?

Thank you very much in advance,

Miguel



-- 
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Miguel Martínez Canales
Dto. Física de la Materia Condensada
UPV/EHU
Facultad de Ciencia y Tecnología
Apdo. 644
48080 Bilbao (Spain)
Fax:  +34 94 601 3500
Tlf:  +34 94 601 5437
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2005 International Year of Physics




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