[Pw_forum] 1THz=50K?

[Paolo Giannozzi]

On Sun, 2013-04-28 at 09:38 +0800, Miao Gao wrote:

> In lambda.f90 of QE-5.0.1, I find a explanatory note "1THz=50K", 
> which is used to evaluate the superconducting transition temperature
> Tc. But using E=hv=kBT, we can get 1THz=47.99K, so my question is
> the output of lambda.x is the actual Tc, or should be multiplied by
> 47.99/50?

the answer can be easily found by looking into the code - a rather
straightforward one. At a first glance, it looks like 1THz=50K is 
what is actually used in the code, so it has to be corrected. Not 
a big deal, though: the amount of uncertainty on the calculated Tc
vastly exceeds the 4% difference between the correct and approximated
conversion factor

P.
-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222