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convolution with "corrections"
Hi John & all Feff developers,
I am sending 2 files of the Si-K edge. The first one is a calculation
with no Corrections card and the second is a run of ff2chi only with
"corrections 0.0 1.0".
It seems that the convolution is adding a pre-peak which is an
artefact. A convolution by a gaussian with another program does not
give such peak. (It is less handy, however, because it is necessary
to convert to evenly spaced data, etc..).
Can anyone confirm if it is a bug, a incorrect use or an artefact of
te mathematics use by feff?
Best, ragards (sunshine in Paris today)
Gilles
Si, diamond structure Feff 8.00
Abs Z=14 Rmt= 1.590 Rnm= 1.714 K shell
Pot 1 Z=14 Rmt= 1.620 Rnm= 1.766
Gam_ch=4.153E-01 H-L exch
Mu=-6.650E+00 kf=1.525E+00 Vint=-9.886E+00 Rs_int= 2.378
S02 1.000 Global sig2 0.00000
Curved wave amplitude ratio filter 4.000%
file sig2 tot cw amp ratio deg nlegs reff inp sig2
0/ 0 paths used
xsedge+ 50, used to normalize mu 1.3634E-03
-----------------------------------------------------------------------
e, e(wrt edge), k, mu=(1+chi)*mu0, mu0, chi @#
1836.418 -10.460 -1.000 3.08864E-02 2.59381E-02 4.94830E-03
1837.142 -9.736 -0.900 3.92939E-02 3.33215E-02 5.97248E-03
1837.789 -9.088 -0.800 5.10552E-02 4.40506E-02 7.00460E-03
1838.361 -8.517 -0.700 6.79941E-02 6.03287E-02 7.66548E-03
1838.856 -8.022 -0.600 9.32486E-02 8.63769E-02 6.87167E-03
1839.275 -7.602 -0.500 1.32483E-01 1.30916E-01 1.56650E-03
1839.618 -7.260 -0.400 1.96385E-01 2.13384E-01 -1.69993E-02
1839.885 -6.993 -0.300 3.04824E-01 3.77580E-01 -7.27569E-02
1840.075 -6.802 -0.200 4.80114E-01 6.86672E-01 -2.06559E-01
1840.190 -6.688 -0.100 6.81445E-01 1.05149E+00 -3.70044E-01
1840.228 -6.650 0.000 7.60617E-01 1.16439E+00 -4.03770E-01
1840.332 -6.546 0.165 9.93149E-01 1.51922E+00 -5.26068E-01
1840.435 -6.442 0.233 1.25333E+00 1.73964E+00 -4.86311E-01
1840.466 -6.412 0.250 1.33447E+00 1.78104E+00 -4.46566E-01
1840.571 -6.307 0.300 1.63198E+00 1.86971E+00 -2.37723E-01
1840.695 -6.183 0.350 1.98130E+00 1.90833E+00 7.29652E-02
1840.837 -6.040 0.400 2.27878E+00 1.90920E+00 3.69575E-01
1840.999 -5.878 0.450 2.42339E+00 1.88443E+00 5.38965E-01
1841.180 -5.697 0.500 2.39509E+00 1.84334E+00 5.51754E-01
1841.380 -5.497 0.550 2.24624E+00 1.79240E+00 4.53836E-01
1841.599 -5.278 0.600 2.03034E+00 1.73625E+00 2.94087E-01
1841.838 -5.040 0.650 1.96311E+00 1.67802E+00 2.85088E-01
1842.095 -4.783 0.700 2.28158E+00 1.61987E+00 6.61703E-01
1842.371 -4.507 0.750 2.88226E+00 1.56330E+00 1.31896E+00
1842.666 -4.212 0.800 3.05682E+00 1.50910E+00 1.54772E+00
1842.981 -3.897 0.850 2.52936E+00 1.45791E+00 1.07146E+00
1843.314 -3.564 0.900 2.41392E+00 1.41001E+00 1.00392E+00
1843.666 -3.211 0.950 2.46700E+00 1.36555E+00 1.10145E+00
1844.038 -2.840 1.000 2.08824E+00 1.32439E+00 7.63845E-01
1844.428 -2.449 1.050 1.83384E+00 1.28661E+00 5.47233E-01
1844.838 -2.040 1.100 1.72337E+00 1.25201E+00 4.71361E-01
1845.267 -1.611 1.150 1.55016E+00 1.22037E+00 3.29790E-01
1845.714 -1.164 1.200 1.55933E+00 1.19166E+00 3.67672E-01
1846.181 -0.697 1.250 1.58855E+00 1.16552E+00 4.23029E-01
1846.667 -0.211 1.300 1.56055E+00 1.14196E+00 4.18585E-01
1847.171 0.294 1.350 1.48909E+00 1.12067E+00 3.68418E-01
1847.695 0.818 1.400 1.33941E+00 1.10155E+00 2.37857E-01
1848.238 1.361 1.450 1.19848E+00 1.08442E+00 1.14062E-01
1848.800 1.923 1.500 1.00553E+00 1.06917E+00 -6.36409E-02
1849.381 2.504 1.550 8.06735E-01 1.05567E+00 -2.48936E-01
1849.981 3.104 1.600 7.72743E-01 1.04366E+00 -2.70918E-01
1850.600 3.723 1.650 8.12533E-01 1.03323E+00 -2.20694E-01
1851.239 4.361 1.700 9.23357E-01 1.02409E+00 -1.00736E-01
1851.896 5.018 1.750 1.05214E+00 1.01627E+00 3.58709E-02
1852.572 5.694 1.800 1.11914E+00 1.00963E+00 1.09517E-01
1853.267 6.390 1.850 1.06558E+00 1.00402E+00 6.15574E-02
1853.982 7.104 1.900 1.01782E+00 9.99395E-01 1.84198E-02
1854.715 7.837 1.950 9.62117E-01 9.95748E-01 -3.36308E-02
1855.468 8.590 2.000 9.38667E-01 9.92867E-01 -5.42008E-02
1856.239 9.361 2.050 9.48837E-01 9.90759E-01 -4.19215E-02
1857.030 10.152 2.100 9.75571E-01 9.89354E-01 -1.37822E-02
1857.839 10.962 2.150 9.87563E-01 9.88508E-01 -9.45176E-04
1858.668 11.790 2.200 9.72120E-01 9.88226E-01 -1.61056E-02
1859.516 12.638 2.250 9.45344E-01 9.88436E-01 -4.30918E-02
1860.383 13.505 2.300 9.17000E-01 9.89068E-01 -7.20683E-02
1861.268 14.391 2.350 8.89961E-01 9.90050E-01 -1.00089E-01
1862.173 15.296 2.400 8.69862E-01 9.91311E-01 -1.21449E-01
1863.097 16.219 2.450 8.61768E-01 9.92852E-01 -1.31084E-01
1864.040 17.162 2.500 8.67134E-01 9.94528E-01 -1.27394E-01
1865.002 18.124 2.550 8.83767E-01 9.96341E-01 -1.12573E-01
1865.983 19.106 2.600 9.10377E-01 9.98217E-01 -8.78400E-02
1866.983 20.106 2.650 9.45630E-01 1.00008E+00 -5.44543E-02
1868.003 21.125 2.700 9.85184E-01 1.00195E+00 -1.67612E-02
1869.041 22.163 2.750 1.01998E+00 1.00373E+00 1.62546E-02
1870.098 23.220 2.800 1.04262E+00 1.00535E+00 3.72634E-02
1871.174 24.297 2.850 1.05158E+00 1.00683E+00 4.47575E-02
1872.270 25.392 2.900 1.04902E+00 1.00815E+00 4.08670E-02
1873.384 26.506 2.950 1.03846E+00 1.00925E+00 2.92081E-02
1874.518 27.640 3.000 1.02544E+00 1.01012E+00 1.53210E-02
1875.670 28.792 3.050 1.01665E+00 1.01077E+00 5.87411E-03
1876.842 29.964 3.100 1.01744E+00 1.01105E+00 6.39167E-03
1878.032 31.155 3.150 1.03070E+00 1.01111E+00 1.95943E-02
1879.242 32.364 3.200 1.05558E+00 1.01087E+00 4.47118E-02
1880.471 33.593 3.250 1.08820E+00 1.01041E+00 7.77972E-02
1881.719 34.841 3.300 1.12106E+00 1.00957E+00 1.11488E-01
1882.985 36.108 3.350 1.14399E+00 1.00845E+00 1.35543E-01
1884.271 37.393 3.400 1.14798E+00 1.00710E+00 1.40880E-01
1885.576 38.698 3.450 1.12797E+00 1.00552E+00 1.22443E-01
1886.900 40.022 3.500 1.08577E+00 1.00366E+00 8.21106E-02
1888.243 41.365 3.550 1.03076E+00 1.00164E+00 2.91157E-02
1889.605 42.727 3.600 9.74777E-01 9.99330E-01 -2.45534E-02
1890.986 44.109 3.650 9.28279E-01 9.96945E-01 -6.86656E-02
1892.386 45.509 3.700 8.96145E-01 9.94411E-01 -9.82661E-02
1893.806 46.928 3.750 8.77303E-01 9.91729E-01 -1.14426E-01
1895.244 48.366 3.800 8.68865E-01 9.88900E-01 -1.20035E-01
1896.701 49.824 3.850 8.69588E-01 9.86069E-01 -1.16481E-01
1898.178 51.300 3.900 8.79545E-01 9.83164E-01 -1.03619E-01
1899.673 52.795 3.950 8.99430E-01 9.80184E-01 -8.07543E-02
1901.188 54.310 4.000 9.29792E-01 9.77277E-01 -4.74856E-02
1902.721 55.843 4.050 9.65783E-01 9.74369E-01 -8.58605E-03
1904.274 57.396 4.100 9.93009E-01 9.71460E-01 2.15485E-02
1905.845 58.967 4.150 9.97536E-01 9.68624E-01 2.89122E-02
1907.436 60.558 4.200 9.82333E-01 9.65787E-01 1.65458E-02
1909.046 62.168 4.250 9.66273E-01 9.63096E-01 3.17709E-03
1910.674 63.797 4.300 9.63228E-01 9.60477E-01 2.75020E-03
1912.322 65.444 4.350 9.71085E-01 9.57932E-01 1.31534E-02
1913.989 67.111 4.400 9.79033E-01 9.55459E-01 2.35740E-02
1915.675 68.797 4.450 9.81655E-01 9.53058E-01 2.85970E-02
1917.380 70.502 4.500 9.80464E-01 9.50804E-01 2.96593E-02
1919.104 72.226 4.550 9.74545E-01 9.48623E-01 2.59218E-02
Si, diamond structure Feff 8.00
Abs Z=14 Rmt= 1.590 Rnm= 1.714 K shell
Pot 1 Z=14 Rmt= 1.620 Rnm= 1.766
Gam_ch=4.153E-01 H-L exch
Mu=-6.650E+00 kf=1.525E+00 Vint=-9.886E+00 Rs_int= 2.378
S02 1.000 Global sig2 0.00000
Energy zero shift, vr, vi 0.00000E+00 1.00000E+00
Curved wave amplitude ratio filter 4.000%
file sig2 tot cw amp ratio deg nlegs reff inp sig2
0/ 0 paths used
xsedge+ 50, used to normalize mu 1.3634E-03
-----------------------------------------------------------------------
e, e(wrt edge), k, mu=(1+chi)*mu0, mu0, chi @#
1836.418 -10.460 -1.000 8.15980E-02 -6.02011E-03 8.76181E-02
1837.142 -9.736 -0.900 1.29496E-01 9.51512E-03 1.19981E-01
1837.789 -9.088 -0.800 1.03204E+00 3.88064E-01 6.43979E-01
1838.361 -8.517 -0.700 2.41871E+00 1.24545E+00 1.17326E+00
1838.856 -8.022 -0.600 2.11309E+00 1.44670E+00 6.66384E-01
1839.275 -7.602 -0.500 1.94566E+00 1.41503E+00 5.30633E-01
1839.618 -7.260 -0.400 1.90719E+00 1.34738E+00 5.59807E-01
1839.885 -6.993 -0.300 1.89805E+00 1.24648E+00 6.51568E-01
1840.075 -6.802 -0.200 1.88450E+00 1.14786E+00 7.36639E-01
1840.190 -6.688 -0.100 1.87221E+00 1.08730E+00 7.84905E-01
1840.228 -6.650 0.000 1.86749E+00 1.06895E+00 7.98541E-01
1840.332 -6.546 0.165 1.85646E+00 1.07654E+00 7.79913E-01
1840.435 -6.442 0.233 1.85357E+00 1.09054E+00 7.63032E-01
1840.466 -6.412 0.250 1.85399E+00 1.09527E+00 7.58716E-01
1840.571 -6.307 0.300 1.85927E+00 1.11294E+00 7.46328E-01
1840.695 -6.183 0.350 1.87069E+00 1.13478E+00 7.35913E-01
1840.837 -6.040 0.400 1.88757E+00 1.15893E+00 7.28643E-01
1840.999 -5.878 0.450 1.90792E+00 1.18296E+00 7.24952E-01
1841.180 -5.697 0.500 1.92952E+00 1.20444E+00 7.25081E-01
1841.380 -5.497 0.550 1.95113E+00 1.22119E+00 7.29939E-01
1841.599 -5.278 0.600 1.97375E+00 1.23207E+00 7.41680E-01
1841.838 -5.040 0.650 1.99924E+00 1.23674E+00 7.62501E-01
1842.095 -4.783 0.700 2.02650E+00 1.23560E+00 7.90905E-01
1842.371 -4.507 0.750 2.04747E+00 1.22951E+00 8.17957E-01
1842.666 -4.212 0.800 2.04898E+00 1.21935E+00 8.29628E-01
1842.981 -3.897 0.850 2.02273E+00 1.20622E+00 8.16513E-01
1843.314 -3.564 0.900 1.97059E+00 1.19101E+00 7.79583E-01
1843.666 -3.211 0.950 1.89778E+00 1.17454E+00 7.23239E-01
1844.038 -2.840 1.000 1.80900E+00 1.15730E+00 6.51692E-01
1844.428 -2.449 1.050 1.71419E+00 1.13997E+00 5.74220E-01
1844.838 -2.040 1.100 1.62509E+00 1.12288E+00 5.02207E-01
1845.267 -1.611 1.150 1.54937E+00 1.10624E+00 4.43130E-01
1845.714 -1.164 1.200 1.48921E+00 1.09041E+00 3.98794E-01
1846.181 -0.697 1.250 1.43793E+00 1.07537E+00 3.62559E-01
1846.667 -0.211 1.300 1.38392E+00 1.06138E+00 3.22544E-01
1847.171 0.294 1.350 1.31789E+00 1.04837E+00 2.69514E-01
1847.695 0.818 1.400 1.23750E+00 1.03644E+00 2.01053E-01
1848.238 1.361 1.450 1.14699E+00 1.02557E+00 1.21416E-01
1848.800 1.923 1.500 1.05556E+00 1.01578E+00 3.97762E-02
1849.381 2.504 1.550 9.79898E-01 1.00707E+00 -2.71745E-02
1849.981 3.104 1.600 9.37757E-01 9.99264E-01 -6.15071E-02
1850.600 3.723 1.650 9.33484E-01 9.92531E-01 -5.90470E-02
1851.239 4.361 1.700 9.57240E-01 9.86668E-01 -2.94274E-02
1851.896 5.018 1.750 9.89926E-01 9.81744E-01 8.18200E-03
1852.572 5.694 1.800 1.00976E+00 9.77675E-01 3.20901E-02
1853.267 6.390 1.850 1.00688E+00 9.74365E-01 3.25160E-02
1853.982 7.104 1.900 9.89428E-01 9.71786E-01 1.76424E-02
1854.715 7.837 1.950 9.69326E-01 9.69975E-01 -6.49050E-04
1855.468 8.590 2.000 9.55938E-01 9.68745E-01 -1.28071E-02
1856.239 9.361 2.050 9.52661E-01 9.68123E-01 -1.54618E-02
1857.030 10.152 2.100 9.55060E-01 9.68060E-01 -1.30005E-02
1857.839 10.962 2.150 9.54894E-01 9.68431E-01 -1.35365E-02
1858.668 11.790 2.200 9.47274E-01 9.69253E-01 -2.19788E-02
1859.516 12.638 2.250 9.33334E-01 9.70468E-01 -3.71337E-02
1860.383 13.505 2.300 9.16794E-01 9.72016E-01 -5.52221E-02
1861.268 14.391 2.350 9.01203E-01 9.73837E-01 -7.26345E-02
1862.173 15.296 2.400 8.89881E-01 9.75867E-01 -8.59859E-02
1863.097 16.219 2.450 8.85624E-01 9.78115E-01 -9.24907E-02
1864.040 17.162 2.500 8.89659E-01 9.80443E-01 -9.07832E-02
1865.002 18.124 2.550 9.01916E-01 9.82856E-01 -8.09401E-02
1865.983 19.106 2.600 9.21359E-01 9.85289E-01 -6.39304E-02
1866.983 20.106 2.650 9.46125E-01 9.87673E-01 -4.15474E-02
1868.003 21.125 2.700 9.72995E-01 9.90013E-01 -1.70174E-02
1869.041 22.163 2.750 9.97456E-01 9.92240E-01 5.21659E-03
1870.098 23.220 2.800 1.01555E+00 9.94284E-01 2.12673E-02
1871.174 24.297 2.850 1.02558E+00 9.96148E-01 2.94284E-02
1872.270 25.392 2.900 1.02812E+00 9.97837E-01 3.02810E-02
1873.384 26.506 2.950 1.02538E+00 9.99278E-01 2.61024E-02
1874.518 27.640 3.000 1.02088E+00 1.00047E+00 2.04047E-02
1875.670 28.792 3.050 1.01863E+00 1.00143E+00 1.72063E-02
1876.842 29.964 3.100 1.02191E+00 1.00200E+00 1.99180E-02
1878.032 31.155 3.150 1.03261E+00 1.00232E+00 3.02910E-02
1879.242 32.364 3.200 1.05016E+00 1.00234E+00 4.78246E-02
1880.471 33.593 3.250 1.07177E+00 1.00212E+00 6.96517E-02
1881.719 34.841 3.300 1.09224E+00 1.00152E+00 9.07181E-02
1882.985 36.108 3.350 1.10532E+00 1.00061E+00 1.04711E-01
1884.271 37.393 3.400 1.10545E+00 9.99473E-01 1.05981E-01
1885.576 38.698 3.450 1.08967E+00 9.98101E-01 9.15679E-02
1886.900 40.022 3.500 1.05914E+00 9.96425E-01 6.27154E-02
1888.243 41.365 3.550 1.01938E+00 9.94593E-01 2.47837E-02
1889.605 42.727 3.600 9.77650E-01 9.92457E-01 -1.48072E-02
1890.986 44.109 3.650 9.40951E-01 9.90240E-01 -4.92891E-02
1892.386 45.509 3.700 9.13212E-01 9.87868E-01 -7.46554E-02
1893.806 46.928 3.750 8.95280E-01 9.85341E-01 -9.00611E-02
1895.244 48.366 3.800 8.86372E-01 9.82661E-01 -9.62890E-02
1896.701 49.824 3.850 8.85849E-01 9.79974E-01 -9.41247E-02
1898.178 51.300 3.900 8.93369E-01 9.77207E-01 -8.38385E-02
1899.673 52.795 3.950 9.08688E-01 9.74361E-01 -6.56733E-02
1901.188 54.310 4.000 9.30629E-01 9.71583E-01 -4.09545E-02
1902.721 55.843 4.050 9.54631E-01 9.68800E-01 -1.41687E-02
1904.274 57.396 4.100 9.72646E-01 9.66012E-01 6.63412E-03
1905.845 58.967 4.150 9.78189E-01 9.63292E-01 1.48974E-02
1907.436 60.558 4.200 9.72698E-01 9.60568E-01 1.21306E-02
1909.046 62.168 4.250 9.65058E-01 9.57986E-01 7.07151E-03
1910.674 63.797 4.300 9.62660E-01 9.55474E-01 7.18584E-03
1912.322 65.444 4.350 9.65815E-01 9.53031E-01 1.27837E-02
1913.989 67.111 4.400 9.69979E-01 9.50658E-01 1.93207E-02
1915.675 68.797 4.450 9.71648E-01 9.48355E-01 2.32930E-02
1917.380 70.502 4.500 9.70091E-01 9.46196E-01 2.38959E-02
1919.104 72.226 4.550 9.64902E-01 9.44106E-01 2.07960E-02
_______________________________________________________
Gilles Hug
LEM, UMR 104, ONERA-CNRS, BP72
92322 Chatillon Cedex, France
tel : 33 01 46 73 45 42 fax : 33 01 46 73 41 55
mailto:Gilles.Hug@onera.fr
http://www.onera.fr/lem/anachistr/index.html
_______________________________________________________
Office National d'Etudes et de Recherches Aerospatiales
------- & ------
Centre National de la Recherche Scientifique
_______________________________________________________