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</o:shapelayout></xml><![endif]--></head><body lang=EN-US link="#0563C1" vlink="#954F72" style='word-wrap:break-word'><div class=WordSection1><p class=MsoNormal>Dear users,<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>I have been using Hubbard calculations recently in the context of polaron studies (I am using DFT+V on 2 atoms to study a polaronic dimer). <o:p></o:p></p><p class=MsoNormal>I did not encounter any particular issue while tuning the V value using the generalized Koopman’s condition. However, when trying to compute forces with DFT+V, the calculations appear to be very slow: on a 36 minute run, 28 were spent on the <i>force_hub </i>routine. Is this supposed to happen? This seems odd, and I suspect I might be doing something wrong. Other calculations run smoothly, it is only the forces that seem to slow everything down<o:p></o:p></p><p class=MsoNormal>I included the input and output files for an example calculation, as well as the slurm file used to control the parallelization parameters.<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Thanks in advance,<o:p></o:p></p><p class=MsoNormal>Julien<o:p></o:p></p></div></body></html>