Cu crystal, 4 shells Feff 6.01 potph 4.12 Abs Z=29 Rmt= 1.289 Rnm= 1.427 K shell Pot 1 Z=29 Rmt= 1.275 Rnm= 1.399 Gam_ch=1.761E+00 H-L exch Mu=-5.493E+00 kf=1.793E+00 Vint=-1.774E+01 Rs_int= 2.023 S02 1.000 Temp 190.00 Debye temp 315.00 Feff 6.01 ff2chi 2.01 Curved wave amplitude ratio filter 4.000% file sig2 cw amp ratio deg nlegs r effective feff0001.dat 0.00609 100.00 12.00 2 2.5527 feff0002.dat 0.00748 22.99 6.00 2 3.6100 feff0003.dat 0.00685 10.56 48.00 3 3.8290 feff0004.dat 0.00756 8.60 48.00 3 4.3577 feff0005.dat 0.00767 55.44 24.00 2 4.4213 feff0006.dat 0.00772 10.61 48.00 3 4.7633 feff0007.dat 0.00772 22.03 96.00 3 4.7633 feff0008.dat 0.00775 18.96 12.00 2 5.1053 feff0009.dat 0.00775 8.46 12.00 3 5.1053 feff0010.dat 0.00775 43.81 24.00 3 5.1053 feff0011.dat 0.00775 8.25 12.00 4 5.1053 feff0017.dat 0.00775 32.88 12.00 4 5.1053 12/ 14 paths used xsedge+100, used to normalize mu 9.0557E-04 ------------------------------------------------------------------------------- e, e(wrt edge), k, mu=(1+chi)*mu0, mu0, chi @# 8979.980 -12.960 -1.400 6.44698E-03 4.81101E-03 3.40048E-01 8980.478 -12.465 -1.350 7.87215E-03 5.58874E-03 4.08574E-01 8980.975 -11.970 -1.300 9.49476E-03 6.44516E-03 4.73161E-01 8981.473 -11.474 -1.250 1.14227E-02 7.40510E-03 5.42546E-01 8981.970 -10.979 -1.200 1.37742E-02 8.50144E-03 6.20225E-01 8982.388 -10.560 -1.150 1.65557E-02 9.54793E-03 7.33955E-01 8982.805 -10.141 -1.100 1.85636E-02 1.07620E-02 7.24920E-01 8983.223 -9.722 -1.050 1.75903E-02 1.21951E-02 4.42410E-01 8983.640 -9.303 -1.000 1.22969E-02 1.39209E-02 -1.16656E-01 8983.983 -8.960 -0.950 8.49644E-03 1.55724E-02 -4.54390E-01 8984.325 -8.617 -0.900 7.00080E-03 1.75727E-02 -6.01609E-01 8984.668 -8.274 -0.850 8.46033E-03 2.00504E-02 -5.78047E-01 8985.010 -7.931 -0.800 1.26217E-02 2.32053E-02 -4.56087E-01 8985.278 -7.664 -0.750 1.60972E-02 2.62686E-02 -3.87206E-01 8985.545 -7.398 -0.700 2.02751E-02 3.01697E-02 -3.27965E-01 8985.813 -7.131 -0.650 2.51971E-02 3.53082E-02 -2.86368E-01 8986.080 -6.864 -0.600 3.10746E-02 4.23819E-02 -2.66797E-01 8986.270 -6.674 -0.550 3.64337E-02 4.92544E-02 -2.60296E-01 8986.460 -6.483 -0.500 4.34955E-02 5.86319E-02 -2.58160E-01 8986.650 -6.293 -0.450 5.33717E-02 7.21430E-02 -2.60197E-01 8986.840 -6.102 -0.400 6.83603E-02 9.31267E-02 -2.65943E-01 8986.955 -5.988 -0.350 8.20111E-02 1.12123E-01 -2.68559E-01 8987.070 -5.874 -0.300 1.01727E-01 1.39692E-01 -2.71781E-01 8987.185 -5.759 -0.250 1.31767E-01 1.81877E-01 -2.75515E-01 8987.300 -5.645 -0.200 1.79165E-01 2.48722E-01 -2.79658E-01 8987.338 -5.607 -0.150 2.00543E-01 2.78355E-01 -2.79543E-01 8987.375 -5.569 -0.100 2.24665E-01 3.11810E-01 -2.79480E-01 8987.413 -5.531 -0.050 2.51087E-01 3.48477E-01 -2.79473E-01 8987.450 -5.493 0.000 2.78909E-01 3.87118E-01 -2.79526E-01 8987.488 -5.455 0.050 3.05926E-01 4.26015E-01 -2.81889E-01 8987.525 -5.417 0.100 3.31716E-01 4.63439E-01 -2.84229E-01 8987.563 -5.378 0.150 3.55334E-01 4.98041E-01 -2.86538E-01 8987.600 -5.340 0.200 3.76283E-01 5.29086E-01 -2.88806E-01 8987.715 -5.226 0.250 4.25451E-01 6.00580E-01 -2.91600E-01 8987.830 -5.112 0.300 4.56978E-01 6.47613E-01 -2.94366E-01 8987.945 -4.997 0.350 4.78002E-01 6.79984E-01 -2.97039E-01 8988.060 -4.883 0.400 4.92922E-01 7.03727E-01 -2.99555E-01 8988.250 -4.693 0.450 5.10599E-01 7.31787E-01 -3.02257E-01 8988.440 -4.502 0.500 5.23392E-01 7.52362E-01 -3.04335E-01 8988.630 -4.312 0.550 5.33869E-01 7.68802E-01 -3.05583E-01 8988.820 -4.121 0.600 5.43383E-01 7.82738E-01 -3.05792E-01 8989.088 -3.854 0.650 5.55720E-01 7.98308E-01 -3.03878E-01 8989.355 -3.588 0.700 5.68347E-01 8.11974E-01 -3.00043E-01 8989.623 -3.321 0.750 5.82045E-01 8.24424E-01 -2.93998E-01 8989.890 -3.054 0.800 5.97358E-01 8.36051E-01 -2.85500E-01 8990.233 -2.711 0.850 6.16813E-01 8.48165E-01 -2.72767E-01 8990.575 -2.369 0.900 6.38883E-01 8.59632E-01 -2.56795E-01 8990.918 -2.026 0.950 6.63839E-01 8.70644E-01 -2.37531E-01 8991.260 -1.683 1.000 6.91772E-01 8.81321E-01 -2.15074E-01 8991.680 -1.264 1.050 7.24146E-01 8.91481E-01 -1.87705E-01 8992.100 -0.845 1.100 7.59745E-01 9.01368E-01 -1.57119E-01 8992.520 -0.425 1.150 7.98066E-01 9.11049E-01 -1.24015E-01 8992.940 -0.006 1.200 8.38382E-01 9.20573E-01 -8.92829E-02 8993.435 0.489 1.250 8.81660E-01 9.28803E-01 -5.07566E-02 8993.930 0.984 1.300 9.25731E-01 9.36897E-01 -1.19186E-02 8994.425 1.480 1.350 9.69163E-01 9.44886E-01 2.56927E-02 8994.920 1.975 1.400 1.01047E+00 9.52789E-01 6.05393E-02 8995.490 2.546 1.450 1.05058E+00 9.58957E-01 9.55431E-02 8996.060 3.118 1.500 1.08591E+00 9.65049E-01 1.25242E-01 8996.630 3.689 1.550 1.11514E+00 9.71079E-01 1.48351E-01 8997.200 4.261 1.600 1.13744E+00 9.77057E-01 1.64151E-01 8997.850 4.909 1.650 1.15330E+00 9.81202E-01 1.75397E-01 8998.500 5.556 1.700 1.16160E+00 9.85300E-01 1.78933E-01 8999.150 6.204 1.750 1.16312E+00 9.89356E-01 1.75631E-01 8999.800 6.852 1.800 1.15923E+00 9.93379E-01 1.66956E-01 9000.523 7.576 1.850 1.15017E+00 9.95747E-01 1.55083E-01 9001.245 8.299 1.900 1.13886E+00 9.98082E-01 1.41052E-01 9001.968 9.023 1.950 1.12725E+00 1.00039E+00 1.26813E-01 9002.690 9.747 2.000 1.11687E+00 1.00267E+00 1.13893E-01 9003.490 10.547 2.050 1.10545E+00 1.00368E+00 1.01395E-01 9004.290 11.347 2.100 1.09725E+00 1.00466E+00 9.21610E-02 9005.090 12.148 2.150 1.09063E+00 1.00561E+00 8.45440E-02 9005.890 12.948 2.200 1.08302E+00 1.00655E+00 7.59776E-02 9006.768 13.824 2.250 1.07221E+00 1.00592E+00 6.58977E-02 9007.645 14.700 2.300 1.05715E+00 1.00516E+00 5.17303E-02 9008.523 15.577 2.350 1.03742E+00 1.00419E+00 3.30853E-02 9009.400 16.453 2.400 1.01372E+00 1.00291E+00 1.07828E-02 9010.353 17.405 2.450 9.90885E-01 1.00207E+00 -1.11646E-02 9011.305 18.358 2.500 9.67604E-01 1.00121E+00 -3.35654E-02 9012.258 19.310 2.550 9.45950E-01 1.00032E+00 -5.43500E-02 9013.210 20.263 2.600 9.28136E-01 9.99392E-01 -7.12997E-02 9014.238 21.292 2.650 9.13482E-01 9.98487E-01 -8.51344E-02 9015.265 22.320 2.700 9.05171E-01 9.97565E-01 -9.26195E-02 9016.293 23.349 2.750 9.04051E-01 9.96626E-01 -9.28893E-02 9017.320 24.378 2.800 9.10159E-01 9.95674E-01 -8.58865E-02 9018.425 25.482 2.850 9.20940E-01 9.94840E-01 -7.42835E-02 9019.530 26.587 2.900 9.38023E-01 9.93991E-01 -5.63070E-02 9020.635 27.692 2.950 9.59234E-01 9.93129E-01 -3.41292E-02 9021.740 28.797 3.000 9.81857E-01 9.92254E-01 -1.04788E-02 9022.923 29.978 3.050 1.00550E+00 9.91616E-01 1.40041E-02 9024.105 31.159 3.100 1.02623E+00 9.90965E-01 3.55849E-02 9025.288 32.340 3.150 1.04138E+00 9.90301E-01 5.15765E-02 9026.470 33.522 3.200 1.04917E+00 9.89626E-01 6.01678E-02 9027.725 34.779 3.250 1.05314E+00 9.89258E-01 6.45772E-02 9028.980 36.036 3.300 1.04917E+00 9.88879E-01 6.09649E-02 9030.235 37.293 3.350 1.03789E+00 9.88489E-01 4.99735E-02 9031.490 38.551 3.400 1.02097E+00 9.88089E-01 3.32802E-02 9032.825 39.884 3.450 1.00242E+00 9.88016E-01 1.45748E-02 9034.160 41.218 3.500 9.82264E-01 9.87934E-01 -5.73842E-03 9035.495 42.551 3.550 9.63181E-01 9.87842E-01 -2.49645E-02 9036.830 43.885 3.600 9.47300E-01 9.87741E-01 -4.09428E-02 9038.240 45.294 3.650 9.35771E-01 9.87942E-01 -5.28081E-02 9039.650 46.704 3.700 9.29586E-01 9.88134E-01 -5.92513E-02 9041.060 48.114 3.750 9.28738E-01 9.88319E-01 -6.02850E-02 9042.470 49.524 3.800 9.32113E-01 9.88496E-01 -5.70394E-02 9043.955 51.009 3.850 9.38733E-01 9.88910E-01 -5.07399E-02 9045.440 52.495 3.900 9.47094E-01 9.89318E-01 -4.26794E-02 9046.925 53.981 3.950 9.55608E-01 9.89718E-01 -3.44641E-02 9048.410 55.467 4.000 9.63046E-01 9.90112E-01 -2.73364E-02 9049.973 57.029 4.050 9.69838E-01 9.90656E-01 -2.10144E-02 9051.535 58.591 4.100 9.74995E-01 9.91193E-01 -1.63426E-02 9053.098 60.153 4.150 9.78912E-01 9.91725E-01 -1.29201E-02 9054.660 61.715 4.200 9.82429E-01 9.92252E-01 -9.90003E-03 9056.298 63.354 4.250 9.86730E-01 9.92828E-01 -6.14126E-03 9057.935 64.992 4.300 9.92104E-01 9.93398E-01 -1.30264E-03 9059.573 66.630 4.350 9.99182E-01 9.93964E-01 5.25010E-03 9061.210 68.269 4.400 1.00823E+00 9.94525E-01 1.37847E-02 9062.925 69.983 4.450 1.01856E+00 9.95036E-01 2.36428E-02 9064.640 71.698 4.500 1.02978E+00 9.95542E-01 3.43958E-02 9066.355 73.412 4.550 1.04111E+00 9.96044E-01 4.52433E-02 9068.070 75.127 4.600 1.05158E+00 9.96543E-01 5.52247E-02 9069.860 76.917 4.650 1.05965E+00 9.96903E-01 6.29450E-02 9071.650 78.708 4.700 1.06515E+00 9.97260E-01 6.80813E-02 9073.440 80.499 4.750 1.06754E+00 9.97613E-01 7.00957E-02 9075.230 82.289 4.800 1.06650E+00 9.97963E-01 6.86732E-02 9077.098 84.156 4.850 1.06156E+00 9.98113E-01 6.35695E-02 9078.965 86.023 4.900 1.05340E+00 9.98260E-01 5.52408E-02 9080.833 87.890 4.950 1.04226E+00 9.98404E-01 4.39280E-02 9082.700 89.757 5.000 1.02851E+00 9.98546E-01 3.00113E-02 9084.643 91.700 5.050 1.01251E+00 9.98454E-01 1.40806E-02 9086.585 93.643 5.100 9.95078E-01 9.98359E-01 -3.28727E-03 9088.528 95.586 5.150 9.77025E-01 9.98263E-01 -2.12748E-02 9090.470 97.529 5.200 9.59344E-01 9.98164E-01 -3.88911E-02 9092.490 99.548 5.250 9.42766E-01 9.97829E-01 -5.51827E-02 9094.510 101.568 5.300 9.28891E-01 9.97492E-01 -6.87739E-02 9096.530 103.587 5.350 9.18792E-01 9.97154E-01 -7.85855E-02 9098.550 105.606 5.400 9.13260E-01 9.96813E-01 -8.38205E-02 9100.645 107.702 5.450 9.12812E-01 9.96266E-01 -8.37673E-02 9102.740 109.797 5.500 9.17063E-01 9.95717E-01 -7.89926E-02 9104.835 111.893 5.550 9.25312E-01 9.95167E-01 -7.01946E-02 9106.930 113.988 5.600 9.36478E-01 9.94615E-01 -5.84520E-02 9109.103 116.160 5.650 9.49311E-01 9.93904E-01 -4.48663E-02 9111.275 118.332 5.700 9.62571E-01 9.93192E-01 -3.08307E-02 9113.448 120.503 5.750 9.75275E-01 9.92478E-01 -1.73339E-02 9115.620 122.675 5.800 9.86897E-01 9.91763E-01 -4.90652E-03 9117.868 124.923 5.850 9.97267E-01 9.90953E-01 6.37159E-03 9120.115 127.171 5.900 1.00699E+00 9.90141E-01 1.70124E-02 9122.363 129.419 5.950 1.01680E+00 9.89328E-01 2.77701E-02 9124.610 131.667 6.000 1.02743E+00 9.88514E-01 3.93641E-02 9126.991 134.048 6.050 1.03928E+00 9.87686E-01 5.22407E-02 9129.372 136.429 6.100 1.05204E+00 9.86856E-01 6.60494E-02 9131.753 138.811 6.150 1.06460E+00 9.86026E-01 7.96890E-02 9134.134 141.192 6.200 1.07521E+00 9.85194E-01 9.13645E-02 9136.515 143.573 6.250 1.08167E+00 9.84362E-01 9.88507E-02 9138.896 145.954 6.300 1.08179E+00 9.83529E-01 9.99040E-02 9141.277 148.335 6.350 1.07384E+00 9.82694E-01 9.27481E-02 9143.658 150.717 6.400 1.05701E+00 9.81859E-01 7.65363E-02 9146.039 153.098 6.450 1.03173E+00 9.81023E-01 5.16863E-02 9148.420 155.479 6.500 9.99796E-01 9.80187E-01 2.00059E-02 9150.992 158.051 6.550 9.64056E-01 9.79507E-01 -1.57746E-02 9153.564 160.623 6.600 9.28840E-01 9.78827E-01 -5.10681E-02 9156.136 163.194 6.650 8.98370E-01 9.78147E-01 -8.15588E-02 9158.708 165.766 6.700 8.76364E-01 9.77465E-01 -1.03432E-01 9161.280 168.338 6.750 8.65401E-01 9.76783E-01 -1.14029E-01 9163.852 170.910 6.800 8.66461E-01 9.76100E-01 -1.12323E-01 9166.424 173.482 6.850 8.78744E-01 9.75417E-01 -9.91090E-02 9168.996 176.053 6.900 8.99798E-01 9.74733E-01 -7.68776E-02 9171.568 178.625 6.950 9.25949E-01 9.74048E-01 -4.93809E-02 9174.140 181.197 7.000 9.52951E-01 9.73363E-01 -2.09703E-02 9176.902 183.959 7.050 9.76904E-01 9.72809E-01 4.20998E-03 9179.664 186.721 7.100 9.94329E-01 9.72254E-01 2.27045E-02 9182.426 189.484 7.150 1.00352E+00 9.71699E-01 3.27502E-02 9185.188 192.246 7.200 1.00447E+00 9.71144E-01 3.43154E-02 9187.950 195.008 7.250 9.98729E-01 9.70588E-01 2.89936E-02 9190.712 197.770 7.300 9.89034E-01 9.70031E-01 1.95898E-02 9193.474 200.532 7.350 9.78671E-01 9.69474E-01 9.48613E-03 9196.236 203.295 7.400 9.70778E-01 9.68917E-01 1.92035E-03 9198.998 206.057 7.450 9.67701E-01 9.68360E-01 -6.79765E-04 9201.760 208.819 7.500 9.70537E-01 9.67801E-01 2.82609E-03 9204.713 211.772 7.550 9.78979E-01 9.67171E-01 1.22093E-02 9207.666 214.724 7.600 9.91214E-01 9.66539E-01 2.55284E-02 9210.619 217.677 7.650 1.00456E+00 9.65908E-01 4.00160E-02 9213.572 220.630 7.700 1.01598E+00 9.65276E-01 5.25256E-02 9216.525 223.583 7.750 1.02270E+00 9.64644E-01 6.01831E-02 9219.478 226.535 7.800 1.02278E+00 9.64011E-01 6.09636E-02 9222.431 229.488 7.850 1.01548E+00 9.63378E-01 5.40787E-02 9225.384 232.441 7.900 1.00136E+00 9.62745E-01 4.01067E-02 9228.337 235.393 7.950 9.82173E-01 9.62112E-01 2.08511E-02 9231.290 238.346 8.000 9.60487E-01 9.61478E-01 -1.03073E-03 9234.433 241.489 8.050 9.38863E-01 9.60619E-01 -2.26489E-02 9237.576 244.633 8.100 9.20310E-01 9.59761E-01 -4.11045E-02 9240.719 247.776 8.150 9.06849E-01 9.58902E-01 -5.42839E-02 9243.862 250.919 8.200 8.99537E-01 9.58042E-01 -6.10677E-02 9247.005 254.063 8.250 8.98395E-01 9.57183E-01 -6.14180E-02 9250.148 257.206 8.300 9.02529E-01 9.56323E-01 -5.62515E-02 9253.291 260.349 8.350 9.10418E-01 9.55463E-01 -4.71448E-02 9256.434 263.492 8.400 9.20286E-01 9.54603E-01 -3.59488E-02 9259.577 266.636 8.450 9.30468E-01 9.53743E-01 -2.44031E-02 9262.720 269.779 8.500 9.39703E-01 9.52882E-01 -1.38307E-02 9266.054 273.113 8.550 9.47107E-01 9.51852E-01 -4.98500E-03 9269.388 276.446 8.600 9.52793E-01 9.50821E-01 2.07342E-03 9272.722 279.780 8.650 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