Dear Dr. Robert Laskowski and Prof. Peter Blaha, I am using WIEN2k 17.1 version to compute the NMR chemical shifts of a compound. Due to power shutdown, my calculations stopped. But some part of calculations has completed. I have nmr_q0, nmr_pqx, nmr_pqy directories but nmr_pyz is not completed.
My question is " May it possible to restart NMR calculation where it stopped? Please suggest me what should I do? I would be thankful to both of you. Waiting eagerly for your reply! Thanks and regards Sandeep -- Dr. Sandeep Kumar, Post-doc Department of Chemistry, The Lise Meitner-Minerva Center for Computational Quantum Chemistry & The Institute for Nanotechnology and Advanced Materials, Bar-Ilan University, Ramat-Gan 52900, Israel
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