NCMAT v4
#
# Tungsten (W). BCC.
#
# Crystal structure was converted from the cif file of the entry 0011236 in the AMCSD.
# Additional reference: Wyckoff R W G, Crystal Structures, vol. 1, p. 7-83, 1963.
#                       https://www.crystallography.net/cod/9008558.html
#
# The VDOS curve was extracted by T. Kittelmann using the engauge digitizer
# software from Figure 2 of:
#
#   "Effect of the variation of the electronic density of states of zirconium and
#    tungsten on their respective thermal conductivity evolution with temperature"
#   Jean-Paul Crocombette et al 2015 J. Phys.: Condens. Matter 27 165501
#   https://doi.org/10.1088/0953-8984/27/16/165501
#
# It should be noted that Crocombette-2015 argues that VDOS curve is not perfect
# at higher frequencies. If a more convincing VDOS curve is one day available,
# the one below could be replaced. However, the realism of even a rough VDOS
# curve is much better than the alternative of a Debye spectrum.
#
@CELL
  cubic 3.16469
@SPACEGROUP
  229
@ATOMPOSITIONS
  W   0   0   0
  W 1/2 1/2 1/2
@DYNINFO
  element  W
  fraction 1
  type     vdos
  vdos_egrid .0043216486367601 .022719524261825
  vdos_density .0101232 .0106726 .0112219 .0117713 .0123206 .01287 .0137012
    .014817 .0159328 .0169083 .0176627 .0184171 .0191714 .0199258 .0208968
    .022024 .0231511 .0242783 .0254054 .0262972 .0271617 .0280262 .0288907
    .0301908 .0322817 .0343725 .0361933 .037844 .0394947 .0408034 .0419572
    .0431111 .0448462 .0468532 .0488602 .0509592 .0531709 .0553827 .0578469
    .0607227 .0635985 .0664451 .0681503 .0698556 .0715974 .0753734 .0791494
    .0829254 .0867013 .0898169 .0927909 .0957649 .099457 .10464 .109823 .114727
    .119604 .124523 .130037 .13555 .141239 .147541 .153997 .160713 .167429
    .175785 .186076 .195625 .204629 .215631 .227534 .241537 .255596 .270479
    .288007 .307803 .330597 .357823 .392835 .428167 .47862 .533955 .602948
    .693166 .779083 .876573 .95458 .995439 1 .984201 .952981 .911956 .874782
    .838143 .80706 .773017 .745801 .724059 .708034 .694877 .681772 .66824
    .654367 .638154 .615735 .586958 .555114 .522993 .491376 .463629 .442637
    .424899 .408618 .394621 .383561 .376408 .369704 .365996 .36497 .366525
    .373129 .383969 .398185 .419085 .449694 .483974 .529851 .588045 .643678
    .702483 .761529 .823197 .854896 .858506 .836259 .766754 .67909 .572288
    .471922 .349923 .2528 .172083 .107368 .0621739 .0362051 .0214826 .0117393
    .00678491 .00186939 0