[Pw_forum] error got by using program pp.x to deal with the input file
Weiguang Chen
chenweiguang82 at gmail.com
Wed Jan 21 17:23:46 CET 2009
Hi,
I used the postproceeding program pp.x to deal with the input file as
follows, but get the error result:
pp.out:
Program POST-PROC v.4.0.4 starts ...
Today is 22Jan2009 at 13:58:56
negative rho (up, down): 0.313E-03 0.353E-03
Calling punch_plot, plot_num = 10
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from local_dos : error # 1
gaussian broadening needed
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
and the pp.in:
pp.in:
&inputpp
prefix = "E",
outdir = '/home/name/E/tmp' ,
filplot = 'spinup-fermi'
plot_num = 10
emin =-0.5
emax = 0.5
spin_component = 1
/
&plot
nfile = 1
filepp(1) = 'spinup-fermi'
weight(1) = 10.0
iflag = 3
output_format = 5
fileout = 'fermi.rho.xsf'
e1(1) =5.0, e1(2)=0.0, e1(3) = 0.0,
e2(1) =0.0, e2(2)=5.0, e2(3) = 0.0,
e3(1) =0.0, e3(2)=0.0, e3(3) = 5.0,
nx=50, ny=50, nz=50
/
Thanks
And Happy Spring Festival (Chinese New Year, i.e. Cow Year for this year)
--
Best Wishes
ChenWeiguang
************************************************
# Chen, Weiguang
#
# Postgraduate, Ph. D
# 75 University Road, Physics Buliding # 218
# School of Physics & Engineering
# Zhengzhou University
# Zhengzhou, Henan 450052 CHINA
#
# Tel: 86-13203730117;
# E-mail:chenweiguang82 at gmail.com;
# chenweiguang82 at qq.com
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