QEXSD_23.03.10 XML file generated by PWSCF This run was terminated on: 13:12:28 3 Mar 2026 8 1 1 1 1 8 scf from_scratch diamond ../../../../pseudos ./ false true true low 10000000 1 5.000000000000000E-05 5.000000000000000E-04 5.000000000000000E-01 low 100000 false false 1.201100000000000E+01 C.upf 6.186082769244495E-03 -1.515087851046995E-01 1.119964093576349E-01 1.607576622212623E+00 1.650603970297742E+00 1.534839429847322E+00 9.723610905096388E+00 1.008210040061076E+01 1.384604074111706E+01 5.174104783851572E+00 5.052578059010084E+00 1.645419935448519E+00 3.373722888371186E+00 8.271242268037211E-02 3.191813511883588E+00 5.223950831555701E+00 1.793313249499681E+00 5.164063752501239E+00 6.806940999807336E+00 3.373292146450604E+00 3.472048413912432E+00 8.515285674243239E+00 5.001966608059662E+00 4.968773786133243E+00 1.539844014437197E-02 3.604504445048539E+00 3.183000696959029E+00 1.463305602521962E+00 5.080398035662705E+00 5.063182911976826E+00 3.396531999297913E+00 6.777533453669765E+00 3.336583247136948E+00 5.280724515004591E+00 8.183794738750640E+00 4.930239208880910E+00 3.354716680223094E+00 3.121912392105247E+00 6.714067742302586E+00 5.306667692194429E+00 5.058647385821947E+00 8.460693266257564E+00 6.550143773303540E+00 6.647472734985293E+00 6.683931603180281E+00 8.377784782636544E+00 8.619572804664434E+00 8.510127013254611E+00 0.000000000000000E+00 6.740653075229095E+00 6.740653075229095E+00 6.740653075229095E+00 0.000000000000000E+00 6.740653075229095E+00 6.740653075229095E+00 6.740653075229095E+00 0.000000000000000E+00 PBE false false false 0.000000000000000E+00 fixed false 3.000000000000000E+01 1.200000000000000E+02 davidson plain 7.000000000000000E-01 5.000000000000000E-11 8 100 100 false false false false 0.000000000000000E+00 false 20 20 4 16 false Monkhorst-Pack none 1.000000000000000E+02 false false none 0.000000000000000E+00 1.921760000000000E+02 all false false false false false false

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0.000000000000000E+00 lattice_symmetry 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 lattice_symmetry -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 lattice_symmetry 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 lattice_symmetry 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 lattice_symmetry 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 -1.000000000000000E+00 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