[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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