NCMAT v5
#
# Polypropylene (PP).
#
# Note: This file models amorphous polyethylene, and the density value has been
# set as 0.855, but could be up to 10% higher (esp. in a crystalline material).
#
# ----------------------------------------------------------------------------
#
# File generated by ncrystal_hfg2ncmat with:
#
#  --spec=1xCH3+1xCHali+1xCH2
#  --formula=C3H6
#  --density=0.855
#
# The hydrogen VDOS curve in this file is constructed using data from:
#
#   "Thermal neutron cross sections of amino acids from average contributions
#   of functional groups", G. Romanelli, et. al., J. Phys.: Condens. Matter,
#   (2021). doi:10.1088/1361-648X/abfc13
#
# Considering only scat. lengths and composition, incoherent scattering on
# hydrogen accounts for 94.7% of scattering in this material (a higher value
# implies more accurate modelling).
#
@STATEOFMATTER
  solid
@DENSITY
  0.855 g_per_cm3
@DYNINFO
  element C
  fraction 3/9
  type vdosdebye
  debye_temp 400.0
@DYNINFO
  element  H
  fraction 6/9
  type     vdos
  vdos_egrid 0.00360721 0.434669
  vdos_density .0339065 .0689534 .101344 .121487 .143822 .167707 .159663 .123411
    .0953246 .0887439 .10496 .159729 .233447 .240381 .172056 .147924 .186368
    .181161 .131829 .10645 .113779 .116715 .0954431 .0705997 .0505697 .0378031
    .035337 .0436386 .057181 .059535 .0483768 .036133 .0276133 .0268609 .0332833
    .0350148 .029106 .0233602 .020373 .0213329 .0281685 .0381256 .0427379
    .0393661 .034147 .0289543 .0311906 .0498375 .08655 .12059 .115265 .0891633
    .0789974 .0739549 .0712768 .0711923 .0720982 .0848751 .102411 .117897
    .138472 .180285 .272422 .331911 .262662 .17581 .160775 .178212 .172281
    .142738 .128609 .140301 .149194 .148692 .160358 .185421 .217583 .242185
    .23455 .191214 .13174 .0989176 .132486 .212283 .293897 .359956 .402673
    .436587 .44807 .453705 .46789 .455295 .411519 .38408 .42763 .545232 .721089
    .858523 .772575 .493792 .22847 .0794481 .0247276 .0109949 .00868786
    .00906045 .00895715 .00755253 .00597872 .00506794 .00460506 .00394622
    .00277979 .00142699 .000512595 .000182403 .000110351 8.91311e-05 8.21707e-05
    8.10038e-05 8.09161e-05 8.09131e-05r17 8.09103e-05 8.08775e-05 8.06929e-05
    8.02081e-05 7.94608e-05 7.78169e-05 7.24836e-05 6.103e-05 4.76952e-05
    3.97676e-05 3.69534e-05 3.50143e-05 3.19248e-05 2.67791e-05 1.87349e-05
    1.20842e-05 1.46733e-05 2.17757e-05 1.96062e-05 1.19503e-05 8.00944e-06
    7.12415e-06 7.01524e-06 7.00781e-06 7.00754e-06r3 7.00764e-06 7.01289e-06
    7.14046e-06 8.48764e-06 1.44471e-05 2.42255e-05 2.63118e-05 1.93195e-05
    1.39383e-05 1.23096e-05 1.51022e-05 2.23919e-05 2.42017e-05 1.90078e-05
    1.62022e-05 1.68171e-05 1.90049e-05 2.14709e-05 2.2922e-05 2.27859e-05
    2.19004e-05 2.2152e-05 3.11592e-05 5.91348e-05 9.4838e-05 .000109487
    .000103837 .000102278 .000176941 .00110466 .00766109 .0301314 .0596251
    .0700182 .111323 .271821 .510321 .666781 .676894 .650855 .677424 .764911
    .919088 1 .825868 .469858 .178907 .0526584 .0208453 .015741 .0141883
    .0108868 .00585472 .00202445 .000479634 .000101676 2.35153e-05 7.39068e-06
    3.80104e-06 1.49795e-06 6.09625e-07 4.6908e-07 3.13779e-07 4.44852e-07
    1.35101e-06 2.81575e-06 3.08281e-06 1.624e-06 4.98356e-07 4.94439e-07
    1.06101e-06 1.40608e-06 9.56367e-07 3.07922e-07 0