Yes, it makes sense. A quick look inside the code (PP/src/punch_plot.f90) shows the same behavior for the charge density minus the atomic charge density (punch_plot=9) and for the charge density (punch_plot=0)
Paolo On Fri, Apr 16, 2021 at 5:45 PM Ian Shuttleworth <[email protected]> wrote: > Dear all > > Does the following input to pp.x make sense? > > It does provide an output, but in the 'INPUT_PP' manual the action of > 'spin_component' isn't explicitly defined for plot_num = 9 - I'm > appreciating that the output might be undefined, even if it does seem to be > working. The contents of tempdir were created using "nspin = 2" i.e. collinear > spin polarised: > > &inputpp > prefix = "test", > outdir = "tempdir", > filplot = 'test.09.density' > plot_num = 9, > spin_component = 2, > / > &plot > nfile = 1 > filepp(1) = 'test.09.density' > weight(1) = 1.0 > iflag = 2 > output_format = 3 > fileout = 'test.09.2.xsf' > e1(1)= 3.0, e1(2)= 0.0, e1(3)= 0.0, > e2(1)= 0.0, e2(2)= 3.0, e2(3)= 0.0, > x0(1)= 0.0, x0(2)= 0.0, x0(3)= 1.8 > nx=100, ny=100 > / > > > With thanks > > Ian Shuttleworth > (Nottingham Trent University) > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 206, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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