QE7.6 average.x and sumpdos.x on actual archived Si2 density/PDOS.
module load ase/3.29.0 qe/7.6-8173m; bash read.sh; bash plot.sh. Optional bash run.sh; bash read.sh work-new analysis-new; bash plot.sh analysis-new.
Average five conditions: three primitive directions, Fourier interpolation120, and requested20 upgraded to original60. x is the native path coordinate based on primitive-vector length; for nonorthogonal cells do not mislabel it as Cartesian z or plane-normal distance. Density electron/bohr3; window2bohr in that convention.
sumpdos four sums: s,p,all s+p, and list+EF6.2977eV from original NSCF. It adds each file LDOS column and does not sum resolved m columns a second time. Native E11.3 output has three significant digits. Full original input files retained with short unambiguous names.
