
     Program XSpectra v.5.2.0 (svn rev. 11610M) starts on 20Aug2015 at 16:32: 9 

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org", 
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI), running on     1 processors

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                    __  ____                 _
                    \ \/ / _\_ __   ___  ___| |_ _ __ __ _
                     \  /\ \| '_ \ / _ \/ __| __| '__/ _` |
                     /  \_\ \ |_) |  __/ (__| |_| | | (_| |
                    /_/\_\__/ .__/ \___|\___|\__|_|  \__,_|
                            |_|

     In publications arising from the use of XSpectra, please cite:
      - O. Bunau and M. Calandra,
        Phys. Rev. B 87, 205105 (2013)
      - Ch. Gougoussis, M. Calandra, A. P. Seitsonen, F. Mauri,
        Phys. Rev. B 80, 075102 (2009)
      - M. Taillefumier, D. Cabaret, A. M. Flank, and F. Mauri,
        Phys. Rev. B 66, 195107 (2002)

     -------------------------------------------------------------------------
                                Reading input_file
     -------------------------------------------------------------------------

     calculation: xanes_dipole

     xonly_plot: TRUE
        => only the spectrum plot

     main plot parameters:
        cut_occ_states: TRUE
        gamma_mode:  constant
        -> using xgamma [eV]:  0.80
        xemin [eV]: -10.00
        xemax [eV]:  30.00
        xnepoint: 1000
        energy zero automatically set to the Fermi level

     Fermi level read in x_save_file
     NB: For an insulator (SCF calculated with occupations="fixed")
         the Fermi level will be placed at the position of HOMO.

     WARNING: variable ef_r is obsolete

     -------------------------------------------------------------------------
                               Reading x_save_file
     -------------------------------------------------------------------------

     x_save_file name: diamond.xspectra.sav
     x_save_file version:   2

     nspin: 1
     number of k-points:  64

     final-state angular momentum (xm_r):    1
      => electric-dipole approximation

     Fermi level [eV]:  13.3353
     core energy [eV]:   284.200

     xepsilon [Cartesian frame]:   1.000000   0.000000   0.000000


     -------------------------------------------------------------------------
                    Starting the calculation of the spectrum
     -------------------------------------------------------------------------

     Using the following parameters:
        energy-zero of the spectrum [eV]:   13.3353
        the occupied states are cut
        xemin [eV]: -10.00
        xemax [eV]:  30.00
        xnepoint: 1000
        constant broadening parameter [eV]:    0.800
        Core level energy [eV]:  -284.2    
         (from electron binding energy of neutral atoms in X-ray data booklet)

     Cross-section successfully written in xanes.dat

     xanes        :     18.29s CPU     18.30s WALL (       1 calls)

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                                END JOB XSpectra
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