[QE-users] HSE calculation converges but doesn't stop

[mkondrin]

On 18.03.2020 22:18, Paolo Giannozzi wrote:
> grep dexx complex2.hse.excB.out

$grep dexx complex2.hse.excB.out
      est. exchange err (dexx)  =       0.02936844 Ry
      est. exchange err (dexx)  =       0.03391243 Ry
      est. exchange err (dexx)  =       0.04282796 Ry
      est. exchange err (dexx)  =       0.03868888 Ry
      est. exchange err (dexx)  =       0.03868090 Ry
      est. exchange err (dexx)  =       0.03898017 Ry
      est. exchange err (dexx)  =       0.03889499 Ry
      est. exchange err (dexx)  =       0.03887344 Ry
      est. exchange err (dexx)  =       0.03887886 Ry
      est. exchange err (dexx)  =       0.03887897 Ry
      est. exchange err (dexx)  =       0.03887928 Ry
      est. exchange err (dexx)  =       0.03887824 Ry
      est. exchange err (dexx)  =       0.03887967 Ry
      est. exchange err (dexx)  =       0.03887855 Ry
      est. exchange err (dexx)  =       0.03887969 Ry
      est. exchange err (dexx)  =       0.03887877 Ry
      est. exchange err (dexx)  =       0.03887962 Ry
      est. exchange err (dexx)  =       0.03887893 Ry
      est. exchange err (dexx)  =       0.03887955 Ry
      est. exchange err (dexx)  =       0.03887904 Ry
      est. exchange err (dexx)  =       0.03887945 Ry
      est. exchange err (dexx)  =       0.03887910 Ry
      est. exchange err (dexx)  =       0.03887941 Ry
      est. exchange err (dexx)  =       0.03887916 Ry
      est. exchange err (dexx)  =       0.03887935 Ry
      est. exchange err (dexx)  =       0.03887918 Ry
      est. exchange err (dexx)  =       0.03887932 Ry
      est. exchange err (dexx)  =       0.03887920 Ry
      est. exchange err (dexx)  =       0.03887929 Ry
      est. exchange err (dexx)  =       0.03887922 Ry
      est. exchange err (dexx)  =       0.03887928 Ry
      est. exchange err (dexx)  =       0.03887922 Ry
      est. exchange err (dexx)  =       0.03887926 Ry
      est. exchange err (dexx)  =       0.03887923 Ry
      est. exchange err (dexx)  =       0.03887926 Ry
      est. exchange err (dexx)  =       0.03887923 Ry
      est. exchange err (dexx)  =       0.03887924 Ry
      est. exchange err (dexx)  =       0.03887923 Ry
      est. exchange err (dexx)  =       0.03887923 Ry
      est. exchange err (dexx)  =       0.03887922 Ry
      est. exchange err (dexx)  =       0.03887923 Ry