Hello,
I'm struggling with plotting of spin density with pp.x, from a PAW SCF
calculation. This is my input to pp.x:
&INPUTPP
prefix='Si_slab_mo_40',
plot_num=6,
/
&PLOT
iflag = 3 ,
output_format = 6,
fileout = 'spin.cube'
nx=64
ny=64
nz=64
/
And this is the error I'm getting:
Calling punch_plot, plot_num = 6
Writing data to file tmp.pp
Message from routine chdens:
namelist plot not found or invalid, exiting
I'd be very grateful for any advice.
Best regards,
Michal Krompiec
Merck KGaA and University of Southampton
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