Dear users, In order to reduce computational cost, I generated a Te pseudopotential with 5s2 5p4 valence using atomic code and conducted convergence test for FeTe.(I used Fe pseudopotential from pseudo-dojo) But as below, total energy tends to oscillating as ecut goes up. Could this be an issue? It shows the same pattern as alternating series convergence.
ecut(Ry) total energy (Ry) 10 -466.85130800 20 -518.23729950 30 -537.49773545 40 -545.88252183 50 -549.27756332 60 -550.36699157 70 -550.62747228 80 -550.66652621 90 -550.66985572 100 -550.66970192 110 -550.66993898 120 -550.66982014 130 -550.66992940 140 -550.66993080 150 -550.66990365 160 -550.67000330 170 -550.66996727 180 -550.67002488 190 -550.67006554 200 -550.67002601 Thank you Sincerely, Gimyung Park Yonsei University
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