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