[Pw_forum] GWW in wannier part

[kazempoor at ph.iut.ac.ir]

Dear All
 I am using GWW in espresso for 72-atom supercell to correct the state of perfect bulk supercell, but in the midway of running the pw4gww calculation for bulk supercell in wannier part it crashes and the error is :
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     task #         2
     from davcio : error #        99
     error while reading from file
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%


 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     task #        11
     from davcio : error #        99
     error while reading from file
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%


the input file for wannier part is :





 &inputpw4gww
    prefix='tio2-perfect'
    outdir='/p5/batch/kazempou/'
    lwannier=.true.,
    cutoff_wpr_vc = 0.1d0
    num_nbnd_first =300
    num_nbndv=288
    num_nbnds=300
    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=300
    cutoff_products=0.01d0
    l_polarization_analysis=.true.
    cutoff_polarization=0.01d0
/

I would appreciate if anyone tell me what is the reason of error?
thanks a lot





Ali Kazempour
Physics Department, Isfahn University of Technology