[Pw_forum] pp.in

ali kazempoor kazempoor2000 at yahoo.com
Sat Dec 15 15:44:36 CET 2007


Dear All
 I want to plot charge density in the nanowire
supercell,but running pp.x takes much more time(1
day).Also I have 8 atoms in supercell and the size of
supercell is not big.why the calculation consume long
time? I attach pp.in:
&inputpp
    prefix  = 'MnAs1-1'
    outdir = '/scratch/home/akazem/tmp/MnAs/'
    filplot = 'MnAs1-1charge'
    plot_num= 0
    spin_component = 0 ,
 /
 &plot
    nfile = 1
    filepp(1) = 'MnAs1-1charge'
    weight(1) = 1.0
    iflag = 2
    output_format =2
    fileout = 'MnAs1-1.rho.dat'
    e1(1) =1.0, e1(2)=0.0, e1(3) = 0.0,
    e2(1) =0.0, e2(2)=1.0, e2(3) = 0.0,
    nx=15, ny=15
 /


thanks


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