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Last Updated: October 20, 2026
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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 ... Pseudopotential PAW = Projector Augmented Wave method. Note: This video is 1 core calculation case. If you calculated it in parallel, you could rewrite ... xspectra 7) prefix.xspectra.in ---------- &input_xspectra calculation='xanes_dipole', prefix=' input.pr.in ----- &PROJWFC degauss = 0.006 , DeltaE = 0.03 , / ----- □ Fermi Energy grep Fermi input.pw.out the Fermi energy is ... DFPT and QHA calculation (Example AsAl) DFPT ----- A1. cd drag & drop q-e-qe-6.3 A2. cd PHonon A3. cd examples A4. cd ...
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