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Last Updated: October 20, 2026
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input.pr.in ----- &PROJWFC degauss = 0.006 , DeltaE = 0.03 , / ----- □ Fermi Energy grep Fermi input.pw.out the Fermi energy is ... xspectra. upf2plotcore.sh is limited old output (UPF v1 or UPF v2). ---------- &input title='Co h', zed=27., rel=1, config='1s1 2s2 2p6 ... 1) ./PWgui → View → Structure with XCrySDen 2) XCrySDen でFile Display ......., Tools → k-path xspectra 2) Crystallography Open Database Search, 1 to 8 elements: Li, Co, O 1533825 CIF Co Li O2 R -3 m :H 3) cif2cell -p ... xspectra 1) ./ld1.x (less than symbol) case.in (larger than symbol) case.out plot [-2:2][-20:20] 'ld1.dlog' u 1:2 w l lt 1, 'ld1.dlog' u 1:3 ...
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