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PWscf (test run, test-suite)

PWscf (Gau-PBE calculation, which is like HSE {and faster than HSE })

PWscf (HSE calculation)

PWscf (structure optimization)

PWscf (generate TM 1s hole pseudopotential with atomic, outline)

PWscf (DOS calculation, pwgui)

PWscf (LDA+U calculation)

PWscf (GBRV, USPP, download and setup)

PWscf (SCF calculation, OpenMP, pwgui)

PWscf (compile GWW wtih intel ompiler)

PWscf (xspectra-5-, ground state calculation, outline and tests)
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Last Updated: September 29, 2026
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Summary
G. Kang et al., Phys. Rev. B 91 (2015) 155141. ---------------------------------------------------------------- | ----- |PBE |G0W0 |GW0 |GW ... etot_conv_thr = 1.d-4, forc_conv_thr = 1.d-3, &SYSTEM nosym = .true., &CELL wmass = 1, The less mass (Atomic-mass, Lattice ... xspectra. upf2plotcore.sh is limited old output (UPF v1 or UPF v2). ---------- &input title='Co h', zed=27., rel=1, config='1s1 2s2 2p6 ... case.pw.in ---------- &CONTROL calculation = 'scf' , restart_mode = 'from_scratch' , pseudo_dir = './' , / &SYSTEM ibrav = 0 ... USPP = Ultra Soft Pseudo Potential.