&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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20091019/0b30b487/attachment-0001.htm