Dear all, I am trying to perform a calculation with SOC/Noncolin and hubbard_u, however the calculation fails after the first iteration of the SCF cycle with an i/o error and complains about the missing prefix.hub1 file, which is, indeed, empty; The calculation works without hubbard_U or without noncolin (only LSDA) but not both.
Is this not implemented or does the error lie on my side? &SYSTEM ibrav=1,celldm(1)=20.00,ecutwfc=60, ecutrho=600, starting_magnetization(1)=1,occupations="fixed", nat=2,ntyp=2,tot_charge=0.000000, lda_plus_U=.true.,Hubbard_U(1)=5, lda_plus_U_kind=1, noncolin=.true., lspinorb=.true. / pseudos are from the PSLibrary 1.0.0 and it is an FeO dimer in a box Any help is greatly appreciated! Best, Chris -- Postdoctoral Researcher Center for Quantum Nanoscience, Institute for Basic Science Ewha Womans University, Seoul, South Korea
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