[Pw_forum] from bfgs : error #

[Paolo Giannozzi]

mohnish pandey wrote:

>      enthalpy old            =    -317.0354363374 Ry
>      enthalpy new            =    -317.0354363339 Ry

you are already at almost perfect convergence

P.
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy