[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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