[Pw_forum] Error in charge difference

[Ozan Dernek]

Hello,

I would like to run a charge difference calculation but the calculation
fails. I am using the input file as given below:

&inputpp
/
&plot
 nfile=3,
  filepp(1)="charge.whole",
 filepp(2)="charge.surf",
 filepp(3)="charge.mol",
 weight(1)=1,
 weight(2)=-1,
 weight(3)=-1,
 iflag=3,
 output_format=5,
 fileout="eth_bind_au_ni.xsf"
/


It gives an error file as:

Image              PC                Routine            Line
Source
pp.x               00000000009685B7  Unknown               Unknown  Unknown
pp.x               00000000009661D7  Unknown               Unknown  Unknown
pp.x               000000000088316E  read_io_header_           119
plot_io.f90
pp.x               000000000040C584  chdens_                   236
chdens.f90
pp.x               0000000000406463  MAIN__                     44
postproc.f90
pp.x               0000000000405CB6  Unknown               Unknown  Unknown
libc.so.6          00000039D281D994  Unknown               Unknown  Unknown
pp.x               0000000000405BB9  Unknown               Unknown  Unknown



I have checked the charge files and did not recognize any problem. I have
tried Quantum Espresso version 5.1 and 5.3.0. Both produce the same error
file. How can i get rid of this problem ?

Regards,

Ozan Dernek,
Msc. Student
Middle East Technical Univesity, Turkey
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