![Abinit: first tutorial on H2 molecules [HD 02]](https://i.ytimg.com/vi/gcbfb_Mteo4/mqdefault.jpg)
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case.files ----- case_DOS.in case_DOS.out caseo case_DOSo case_DOStmp ----- □ case.in ----- # SCF input.pr.in ----- &PROJWFC degauss = 0.006 , DeltaE = 0.03 , / ----- □ Fermi Energy grep Fermi input.pw.out the Fermi energy is ... Workshop introduction: 20 years of G. Kang et al., Phys. Rev. B 91 (2015) 155141. ---------------------------------------------------------------- | ----- |PBE |G0W0 |GW0 |GW ... elk.in ----- tasks 0 10 sppath '../../species/' ngridk 8 8 8 ----- + GEOMETRY.OUT(cif2cell or spacegroup) And, see VESTA example ... bandUP 1) cd $HOME/band_unfolding-master/tutorial/
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