Dear all,
I would like to kindly ask if it is possible to solve a problem that
arose when modeling in QE-6-3 one of the modifications of graphene. When
running the program pp.x I received an error message: Message from
routine chdens: namelist plot not found or invalid, exiting. The texts
of the input and output files using the pp.x program are presented in
the appendix.
Best regards,
Mishchenka Valery.
Assistant professor
Belarusian State University of Informatics and Radioelectronics
&inputpp
prefix='C2'
outdir='./tmp'
filplot= 'GR.pbe.rho',
plot_num=0
/
&plot
nfile=1,
filepp(1)='GR.pbe.rho',
weight(1)=1.0,
iflag=3,
output_format=3,
e1(1)=2.0, e1(2)=0.0, e1(3)=0.0,
e2(1)=0.0, e2(2)=2.0, e2(3)=0.0,
e3(1)=0.0, e3(2)=0.0, e3(3)=8.130081301,
x0(1)=0.0, x0(2)=0.0, x(3)=0.0
nx=50, ny=50, nz=50,
fileout='GR.pbe.rho.xsf',
/
Program POST-PROC v.6.3 starts on 7Mar2021 at 15: 0:15
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
"P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
URL http://www.quantum-espresso.org";,
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Serial version
IMPORTANT: XC functional enforced from input :
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Any further DFT definition will be discarded
Please, verify this is what you really want
G-vector sticks info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Sum 595 241 85 96043 24369 4587
negative rho (up, down): 2.389E-03 0.000E+00
Calling punch_plot, plot_num = 0
Writing data to file GR.pbe.rho
Message from routine chdens:
namelist plot not found or invalid, exiting
POST-PROC : 0.81s CPU 0.85s WALL
This run was terminated on: 15: 0:16 7Mar2021
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=
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