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The results of a DISF analysis are stored in a NetCDF file whose main variables are namely:
- octan: an array storing the codes for space octan. For example, X+Y+Z+ for the space octan corresponding to positive
X, Y and Z,
- qvectors_statistics: array storing the number of q-vectors generated per space octan,
- q: the q-shells radii in
,
- time: the times in ps at which the intermediate incoherent scattering function is evaluated,
- Fqt-total: the total intermediate incoherent scattering function,
- Fqt-X: the partial intermediate incoherent scattering function for specie X,
- frequency: the frequencies in THz at which the in coherent structure factor is evaluated,
- Sqw-total: the total dynamic incoherent structure factor,
- Sqw-X: the partial dynamic incoherent structure factor for specie X.
pellegrini eric
2009-10-06