Dear all, I am running a relaxation calculation job using espresso-5.1.2 with DFT+U+J0 and PAWs for a system which contains Mn.
>From pwscf, when the calculation reached stress calculation, I got the reply, " entering subroutine stress ... iatw = 10 natw = 5" and jobs were terminated. If I remove Mn, and I don't apply U+J0 and spin polarization, I don't get error message. I also tested the same system which contains Mn using norm conserving pseudo potentials with DFT+U+J0 and the test calculation was done without any problems. Could someone please fix the issue? Best regards, Takenaka
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