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<div>Dear Q.E users
<BR>
I want to do pdos calculation of graphene with one hydrogen absorbed on it . And the calculation run for a short time before it stopped,with the error massage as follows:
<BR>
Program PROJWFC v.4.2.1 starts on 30May2011 at 20:21:10
<BR>
<BR>
This program is part of the open-source Quantum ESPRESSO suite
<BR>
for quantum simulation of materials; please acknowledge
<BR>
<BR>
Gaussian broadening (read from input): ngauss,degauss= 0 0.010000
<BR>
<BR>
<BR>
Calling projwave ....
<BR>
<BR>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
<BR>
from davcio : error # 10
<BR>
error while reading from file
<BR>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
<BR>
<BR>
stopping ...
<BR>
"pdos.out" 25L, 1009C 1,0-1 全部
<BR>
And I have done the scf and nscf calculation before the pdos calculation .My input information for pdos as follow:
<BR>
&inputpp
<BR>
prefix = 'graphene' ,
<BR>
outdir = './tmp' ,
<BR>
ngauss = 0 ,
<BR>
degauss =0.005
<BR>
Emax = 2.0 ,
<BR>
Emin = -3.0 ,
<BR>
lsym = .true. ,
<BR>
filpdos = 'graphene.pdos' ,
<BR>
filproj = 'graphene.proj' ,
<BR>
/
<BR>
What can be the reasons? Any advice will be greatly appreciated .</div>
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