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Abinit (LDA+U calculation, LDA+U(Around mean field(AMF) method))

Abinit (B3LYP calculation)

Abinit (fatbands calculation)

Abinit (HSE06 calculation)

Abinit (SrTiO3, HSE06, ω=0.254, rcut2=3.937, Gap 3.3 eV)

Introduction to ABINIT

Abinit (PBE0 calculation)

Abinit (PAW download)

Abinit (DOS calculation, expand unoccupied states)

Abinit (1-shot GW, SrTiO3, test)

PWscf (SCF calculation, OpenMP, pwgui)
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Last Updated: October 19, 2026
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Summary
case_band.files ----- case_band.in case_band.out caseo case_bando case_bandtmp Ti.GGA_PBE-JTH.xml C.GGA_PBE-JTH.xml ... case.files ----- case.in case.out casei caseo casetmp C.GGA_PBE-JTH.xml Ti.GGA_PBE-JTH.xml ----- □ case.in ----- # case_opt.files ----- case_opt.in case_opt.out case_opti case_opto case_opttmp Fe.GGA_PBE-JTH-paw.xml ... G. Kang et al., Phys. Rev. B 91 (2015) 155141. ---------------------------------------------------------------- | ----- |PBE |G0W0 |GW0 |GW ... Speaker: Gonze, Xavier (Univ. Catholique of Louvain) School on Electron-Phonon Physics from First Principles | (smr 3191) ... cif2cell -p pwscf --setup-all --print-symmetry-operations --pwscf-atomic-units --pwscf-pseudostring=.pbe-spn-kjpaw_psl.1.0.0.