[Pw_forum] Problem on pp.x

Jiaye, Li jameslipd at gmail.com
Mon Dec 29 02:59:26 CET 2008


Hi

I think my input file should be correct, since I made it according to the
example. But when I submit a job, it always report:
     Program POST-PROC v.4.0.3  starts ...
     Today is 29Dec2008 at 17:36:39
     Parallel version (MPI)
     Number of processors in use:       2
     R & G space division:  proc/pool =    2
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from postproc : error #       225
     reading inputpp namelist
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
As a previous post pointed out that it may be due to the input file error,
however, I think the input file should be a standard input file for surface
calculation, could you help me with pick out where the error is from my
input file? Thanks.

 &inputPP
   outdir='/home/blade/jamesli/test/tmp',                       # temp files
   plot_num=11                          # the V_bare + V_H potential
   filplot = 'IO-O.pp'                  # the quantity selected by plot_num
/
 &plot
   iflag= 3,                                    # 3D plot
   output_format=3                              # format suitable for
XCRYSDEN  (1D, 2D, 3D)
/


-- 
Sincerely

Jiaye Li



==============================================
Li, Jiaye

M.S. in designing and developing novel materials

Research experience:
*ALD precursor. ie. Metal complexes
*Surface modification. ie. Indium tin oxide, SiO2
*Gas storage and adsorption. ie. Ionic Liquids

Skills:
*ab-initial method, DFT simulation and Force Field simulation

Please contact me at:
1. jameslipd at gmail.com  or
2. jameslibd at gmail.com

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