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<div>Dear all</div><div>I’m doing slab calculations for NiP2 using QE.</div><div>I have checked the magnetism for bulk, and the total magnetization converged to zero , so should i set “ total-magnetization =0” for further calculation of slab & complex system( molecule + slab “ ) or i should set “nspin=1” ? Or i have to set “starting_magnetization” for both Ni & P ? What are the suitable values ? </div><div><br></div><div>I’m really confused about magnetism , why should i set “starting-mag” for P atoms while it’s not magnetic ? </div><div>I will be grateful if you resolve my confusion and</div><div>telling me the criteria for setting magnetism for such NiP2 systems.</div><div><br></div><div><br></div>Omer Elmutasim <div>Research Assistant </div><div>Center for Catalysis & separation </div><div>Khalifa University <br><br><a href="https://overview.mail.yahoo.com/?.src=iOS">Sent from Yahoo Mail for iPhone</a><br></div>
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