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McStas: McStas_Isotropic_Sqw

[ Identification | Description | Input parameters | Links ]

The McStas_Isotropic_Sqw Instrument

Wrapper instrument for use of Isotropic_Sqw in SIMRES

Identification

  • Site: SINE2020
  • Author: Peter Willendrup
  • Origin: DTU
  • Date: December 2018

Description

This instrument provides an MCPL-based interface for the use of Isotropic_Sqw in the SIMRES package.
The instrument has been developed in the context of WP8 in the SINE2020 project and is part of
deliverable D8.8.

(EU Horizon 2020 research and innovation programme under grant agreement No 654000).

The default material is liquid Rb as a cylinder of radius 0.01 m x height 0.07 m

Example: McStas_Isotropic_Sqw Sqw_coh=Rb_liq_coh.sqw  Sqw_inc=Rb_liq_inc.sqw radius=0.01 yheight=0.07

Input parameters

Parameters in boldface are required; the others are optional.
NameUnitDescriptionDefault
Sqw_cohstringName of the file containing the values of Q, w and S(Q,w) Coherent part; Q in Angs-1, E in meV, S(q,w) in meV-1. Use 0, NULL or "" to disable."Rb_liq_coh.sqw"
Sqw_incstringName of the file containing the values of Q, w and S(Q,w). Incoherent (self) part. Use 0, NULL or "" to scatter isotropically (V-like)."Rb_liq_inc.sqw"
geometrystringName of an Object File Format (OFF) or PLY file for complex geometry.""
radiusmSample radius0.01
xwidthmSample width along x0
yheightmSample height along y0.07
zdepthmSample depth along z0
thicknessmThickness of hollow sample Negative value extends the hollow volume outside of the box/cylinder.0
thresholdmValue under which S(Q,w) is not accounted for. to set according to the S(Q,w) values, i.e. not too low.1e-20
TKTemperature of sample, detailed balance. Use T=0 to disable it. and T=-1 to automatically set it from non-classical S(q,w).0
d_phidegVertical focusing limit [deg]0
verbose1Verbosity level (0:silent, 1:normal, 2:verbose, 3:debug). A verbosity>1 also computes dispersions and S(q,w) analysis.1
classical1Assumes the S(q,w) data from the files is a classical S(q,w), and multiply that data by exp(hw/2kT) on up/down energy sides. Use 0 when obtained from raw experiments, 1 from molecular dynamics. Use -1 to guess from a data set including both energy sides.-1
powder_barns10 when |F2| data in powder file are fm^2, 1 when in barns (barns=1 for laz, barns=0 for lau type files).1
quantum_correctionstrSpecify the type of quantum correction to use "Boltzmann"/"Schofield","harmonic"/"Bader" or "standard"/"Frommhold" (default)"standard"
norm1Normalize S(q,w) when -1 (default). Use raw data when 0, multiply S(q,w) when norm>0.-1
rot_xdegSample rotation around x0
rot_ydegSample rotation around y0
rot_zdegSample rotation around z0

Links


[ Identification | Description | Input parameters | Links ]

Generated on 2024-01-03 11:47:43


Last Modified: Wednesday, 03-Jan-2024 19:59:11 CET
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