[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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