[Pw_forum] [Pw_Forum] specific heat

[Wilfredo Ibarra Hernández]

Dear all.

In the past I was asked if someone worked with the calculation of specific
heat. I'm working with QHA, but I have a question.

The temperature for this calculation, It's necessary be integer? because I
modify the Edit_me file, but when I put delta_T with values like 0.1 the
calculation not write anything in the "system.QHA.out" and I need this
values because I want make a graphic "Cv/T^3 Vs. T". And the important
values are near to zero.

Thanks for you help.


~~~~~~~~~~~~~~~~~~~~~~~~~~~
Ibarra Hernández Wilfredo
Master student in materials science
Cinvestav unidad Quéretaro
Quéretaro, Mèxico.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110215/77543d23/attachment.html>