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
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users