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[ Identification | Description | Input parameters | Links ] The
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Name | Unit | Description | Default | |
mosaic_AB | arc_minutes, arc_minutes,1, 1, 1, 1, 1, 1 | In Plane mosaic rotation and plane vectors (anisotropic), mosaic_A, mosaic_B, A_h,A_k,A_l, B_h,B_k,B_l. Puts the crystal in the in-plane mosaic state. Vectors A and B define plane in which the crystal roation is defined, and mosaic_A, mosaic_B, denotes the resp. mosaicities (gaussian RMS) with respect to the the two reflections chosen by A and B (Miller indices). | Mosaic_AB_Undefined | |
reflections | string | File name containing structure factors of reflections. Use empty ("") or NULL for incoherent scattering only | 0 | |
delta_d_d | 1 | Lattice spacing variance, gaussian RMS | 1e-4 | |
mosaic | arc minutes | Crystal mosaic (isotropic), gaussian RMS. Puts the crystal in the isotropic mosaic model state, thus disregarding other mosaicity parameters. | -1 | |
mosaic_a | arc minutes | Horizontal (rotation around lattice vector a) mosaic (anisotropic), gaussian RMS. Put the crystal in the anisotropic crystal vector state. I.e. model mosaicity through rotation around the crystal lattice vectors. Has precedence over in-plane mosaic model. | -1 | |
mosaic_b | arc minutes | Vertical (rotation around lattice vector b) mosaic (anisotropic), gaussian RMS. | -1 | |
mosaic_c | arc minutes | Out-of-plane (Rotation around lattice vector c) mosaic (anisotropic), gaussian RMS | -1 | |
recip_cell | 1 | Choice of direct/reciprocal (0/1) unit cell definition | 0 | |
barns | 1 | Flag to indicate if |F|^2 from 'reflections' is in barns or fm^2. barns=1 for laz and isotropic constant elastic scattering (reflections=NULL), barns=0 for lau type files | 0 | |
ax | AA or AA^-1 | Coordinates of first (direct/recip) unit cell vector | 0 | |
ay | a on y axis | 0 | ||
az | a on z axis | 0 | ||
bx | AA or AA^-1 | Coordinates of second (direct/recip) unit cell vector | 0 | |
by | b on y axis | 0 | ||
bz | b on z axis | 0 | ||
cx | AA or AA^-1 | Coordinates of third (direct/recip) unit cell vector | 0 | |
cy | c on y axis | 0 | ||
cz | c on z axis | 0 | ||
aa | deg | Unit cell angles alpha, beta and gamma. Then uses norms of vectors a,b and c as lattice parameters | 0 | |
bb | deg | Beta angle | 0 | |
cc | deg | Gamma angle | 0 | |
order | 1 | Limit multiple scattering up to given order (0: all, 1: first, 2: second, ...) | 0 | |
RX | m | Radius of horizontal along X lattice curvature. flat for 0 | 0 | |
RY | m | Radius of vertical along Y lattice curvature. flat for 0 | 0 | |
RZ | 0 | |||
powder | 1 | Flag to indicate powder mode, for simulation of Debye-Scherrer cones via random crystallite orientation. A powder texture can be approximated with 00 | | |
PG | 1 | Flag to indicate "Pyrolytic Graphite" mode, only meaningful with choice of Graphite.lau, models PG crystal. A powder texture can be approximated with 00 | | |
interact_fraction | 1 | How large a part of the scattering events should use this process 0-1 (sum of all processes in material = 1) | -1 | |
packing_factor | 1 | How dense is the material compared to optimal 0-1 | 1 |
AT ( | , | , | ) RELATIVE | |||
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ROTATED ( | , | , | ) RELATIVE |
Single_crystal_process.comp
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[ Identification | Description | Input parameters | Links ]
Generated on 2024-01-03 11:47:43