[QE-users] Is there no trick to restart nscf after a sudden power off?

ENDALE ABEBE endtse at gmail.com
Sun Sep 27 02:44:11 CEST 2020


Dear Expertise

I observed that the QE is computing the k-points one after the other. The
size of the wfc file(s) also keeps increasing with the number of computed k
points, though all eigenvalues in the prefix.save folder are stored at the
end of the calculation.
Let me say the total number of k points in the system is m. The power off
while the QE computes the nth k point. Is not it possible to restart the
calculation from the (n-1)th k-point? Is not it possible to let the QE save
the eigenvalues of each k point as soon as it computes the corresponding k
point?

Please your answer is helpful for me, since I am suffering with frequent
power off and using only a desktop computer (core-i7)

Kind Regards

-- 
Endale Abebe
Program coordinator and Lecturer
Faculty of Materials Science and Engineering
Jimma Institute of Technology
Jimma University
P.O.Box 378, Jimma, Ethiopia
Mobile: +251921381598
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