[QE-users] Spin components in pp - plot

Ian Shuttleworth shuttleworth.ian at gmail.com
Fri Apr 16 17:44:37 CEST 2021


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)
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