[Pw_forum] GWW-problem

[ali kazempour]

 &inputpw4gww
    prefix='tio2'
    outdir='/p5/batch/kazempou/'
    lwannier=.true.,
    cutoff_wpr_vc = 0.1d0
    num_nbnd_first =50
    num_nbndv=24
    num_nbnds=34
    l_truncated_coulomb=.false.
    remainder=-1
    restart_gww=-1
    numw_prod=1
    n_gauss=79
    omega_gauss=20.d0
    tau_gauss=10.d0
    l_zero=.true.
    l_wing=.true.
    cprim_first=1
    cprim_last=34
    cutoff_products=0.01d0
    l_polarization_analysis=.true.
    cutoff_polarization=0.01d0
/


&inputgww
ggwin%n=79,
ggwin%n_fit=120,
ggwin%tau=10.,
ggwin%max_i=34,
ggwin%prefix='tio2'
ggwin%num_rows=200
ggwin%starting_point=1
ggwin%ending_point=7
ggwin%lnonorthogonal=.false.
ggwin%lconduction=.true.
ggwin%grid_time=2
ggwin%grid_freq=2
ggwin%omega=20
ggwin%omega_fit=20
ggwin%n_grid_fit=240
ggwin%i_min=1
ggwin%i_max=34
ggwin%l_head_epsilon=.true.
ggwin%w_divergence=2
ggwin%l_wing_epsilon=.true.
/


&inputpp
   outdir='/p5/batch/kazempou/'
   prefix='tio2'
   lgww=.true.
   Emin=-30.0, Emax=20.0, DeltaE=0.05,
   ngauss=0, degauss=0.015
/

thanks a lot





Ali Kazempour
Physics department, Isfahan University of Technology
84156 Isfahan, Iran.            Tel-1:  +98 311 391 3733
Fax: +98 311 391 2376      Tel-2:  +98 311 391 2375



      
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