<div dir="ltr"><div><div>Hi, <br></div> I did a test for a system with no magnetism. I used TEMPS=0.005 for finite T smearing. I did two calculations: First I use "run_lapw -so" and get total energy (E-T*S) E1, then I use "runsp_lapw -so" and get total energy (E-TS) E2. And I confirmed that the magnetic moment is 0 in both cases. The interesting thing is that I get a difference, E2-E1, which is -T*S/2. So I believe there is a bug for the case of TEMPS with spin-orbit coupling paramagnetic calculation. Thanks.<br>
</div> Regards, Yongxin<br></div>