Dear Giuseppe,
Thanks! But it turned out that my problem had a simpler explanation:
missing end-of-line character after the final /.
Best,
Michal
On Fri, 24 May 2019 at 10:02, Giuseppe Mattioli <
giuseppe.matti...@ism.cnr.it> wrote:
>
> dear Michal
> In the past I sometimes faced with the same
dear Michal
In the past I sometimes faced with the same problem. I've found (very
empirically...) that if you break the calculation in two steps the
problem can be solved. Something like this
export FILEA="yourprefix"
export INPFILE=$FILEA-pol.inp
export OUTFILE=$FILEA-pol.out
echo "
Hello,
I'm struggling with plotting of spin density with pp.x, from a PAW SCF
calculation. This is my input to pp.x:
prefix='Si_slab_mo_40',
plot_num=6,
/
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,
