[Pw_forum] plot_2d in bands.x

Leonardo Matheus leommj at usp.br
Mon Dec 9 21:56:12 CET 2013


Hi there,

I'm trying to use the option plot_2d=.true. from bands.x.

1) How should I set up the preceding pw.x calculation? Just a "normal" scf
with a large k-point grid on automatic is ok? Or it has to be
calculation="bands"?

2) Whenever I try to run it, I receive the error *** namelist &inputpp no
longer valid: please use &bands instead ***.
I'm using espresso 5.0.3, and I am sure that I am using &bands instead of
&inputpp, and I am ending it with a /:

&bands
prefix='my-prefix'
outdir='tmp3'
filband='bands-'
plot_2d=.true.
/

Recently another user named Ning Shen posted here on the forum with the
same problem.

What could be happening?

Thanks,

Prof. Leonardo Jorge
Nanomol Group
IF - USP - Brazil
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