Media Summary: G. Kang et al., Phys. Rev. B 91 (2015) 155141. ---------------------------------------------------------------- ----- PBE G0W0 GW0 GW ... 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_DOS.in case_DOS.out caseo case_DOSo case_DOStmp ----- □ case.in ----- # SCF
Abinit Fatbands Calculation - Detailed Analysis & Overview
G. Kang et al., Phys. Rev. B 91 (2015) 155141. ---------------------------------------------------------------- ----- PBE G0W0 GW0 GW ... 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_DOS.in case_DOS.out caseo case_DOSo case_DOStmp ----- □ case.in ----- # SCF case.files ----- case.in case.out casei caseo casetmp C.GGA_PBE-JTH.xml Ti.GGA_PBE-JTH.xml ----- □ case.in ----- # SCF ... case_opt.files ----- case_opt.in case_opt.out case_opti case_opto case_opttmp Fe.GGA_PBE-JTH-paw.xml ... gnuplot (DOS plot) ----- gnuplot plot '${HOME}/
Plsease, increase ngkpt and nband, and decrease tolwfr2.
