[Pw_forum] reg: Tc calculation
Swetarekha Ram
swetarekharam at gmail.com
Sat Jul 14 07:12:52 CEST 2012
Dear users,
I want to calculate the Tc for cubic system.
For that I have done all the calculation till lamda.out
But my doubt is
In the lamda.out file we have lamda, omega and Tc values for the degauss
value starting from 0.05 to 0.5.
So, which value we have to consider for our system.
The value corresponding to the degauss value, which we have used in our
calculation or something else.
Suppose I have used the degauss value in the scf calculation is 0.04, then
from the lamda.out I should take the lamda, omega and Tc value for the
degauss 0.04 or what should I do.
I am confused in this point.
Can any one give suggestion to come out from this problem.
--
Swetarekha Ram,
Research Scholar,
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