PCGrate^{®}S(X) v.6.66.7 32/64bit calculates the diffraction efficiency and nearzone diffraction field for such kinds of 1D reflection and transmission relief & phase gratings (holographic, ruled, and others) and 1D & 2D photonic crystals as those with arbitrary shape multilayer (that have different borders or nonuniform vertical thicknesses along the grating period), variable groove depth or/and space, concave & convex, in conical mounts, irradiated by nonplanar waves, in general polarization states, with various periodical & random layers' roughnesses, and in a super wide spectral region. The rigorous boundary integral equation method ^{}^{}^{}^{}^{5}^{} employed in the analysis of diffraction grating efficiency ^{}^{}^{}^{}^{3}^{}^{,}^{}^{}^{}^{19}^{} is extended here to the case of nonperiodical structures of any kind including calculation of diffuse intensities & ghosts and nonfunction border profiles. ^{}^{}^{}^{}^{42}^{}^{}^{}^{}^{}^{}^{44}^{} A tool for random asperities generating, in particular with Gaussian correlation function, is included (see Figure #27) with a possibility to add microroughness on one facet (part) of a border profile (see Figure #15). The updated PCGrate 6.66.7 Border Profile Editor has new features to generate rough border profiless of any kind and border profiles of the cubic spline type. The software has two independent multilayer solvers, which are based on different calculation schemes.
The PCGrate 6.66.7 32/64bit Separating solver is based on the newly developed singleboundary integralequation Scattering solver and the Scatteringmatrix approach to multilayer diffraction. ^{}^{}^{}^{}^{28}^{}^{,}^{}^{}^{}^{}^{32}^{} By the definition, it requires homogeneous media separated two adjacent corrugated regions by fictitious planes (see Figure #30). The distance between such planes may be arbitrary including very close to zero. The Separating solver is primarily intended for efficiency calculations of dielectric rods of arbitrary shape and refractive index such as 2D photonic crystals, any uncoated gratings including rough ones, and specific types of coated gratings and mirrors. It is indispensable for the xrayVUV gratings and mirrors covered with one or many plane or rather thick conformal coatings and, especially, for grazing incidence.
The earlier implemented and now improved the PCGrate 6.66.7 32/64bit Penetrating solver is based on the multiboundary marching scheme ^{}^{}^{}^{}^{2}^{}^{,}^{}^{}^{}^{}^{35}^{} and it doesn't require a separation between two adjacent corrugated regions (see Figure #31). ^{}^{}^{}^{}^{4}^{}^{ }This is vital in the modeling of many coated gratings (echelles, multilayer xrayVUV, thinoxidized, etc.). So, the Penetrating solver is more general in this sense. In the PCGrateS(X) v. 6.66.7 program the default solver type is Penetrating. As a rule, the Penetrating solver takes more time than Separating one to solve such problems due to considering the absolute plane border as a corrugated boundary and solving the integral equations on each physical boundary (it also depends on number of +/ terms/orders taking into account).
PCGrate®S(X) v. 6.7 32/64bit software has many adds and improvements in comparison with v. 6.6. has many adds and improvements in comparison with v. 6.6. In v. 6.7 the logic of scanning over different parameters was divided into two branches. First branch, which is 1D scanning is direct analogy of scanning functionality of previous versions, it allows only independent scanning over one parameter. The new feature 2D scannings – second branch – was added to this version. 2D scannings allow user to vary two parameters together in order to solve grating efficiency tasks. In version 6.7, the 3D Plots were added to better represent the results of 2D scannings mode solutions. The 3D Plots include same functionality as 2D plots for 1D scannings with some enhancements, such as meshes over the plotted surfaces with variable nodes’ density.
A lot of other minor changes & improvements were implemented both in the v.6.7 code and the documentation.
The Limits and Constraints of Series and Types of the PCGrate^{®}S(X) Software
PCGrate®S(X) v.6.66.7 32/64bit have two series: S and SX; and each series have three types: PCGrate®S(X) GUI, PCGrate®S(X) XML and PCGrate®S(X) Complete. PCGrate®S series have the minimal value of the wavelengthtoperiod ratio λ/d of 0.02 and the maximal number of layers of the grating surface multilayer material of 20. PCGrate®SX series have the minimal value of the wavelength λ of 0.01 nm (there is no a restriction on wavelengthtoperiod ratios) and the maximal number of layers of the grating surface multilayer material of 10 000 for v. 6.66.7. The PCGrateS(X) XML and PCGrateS(X) Complete types make it possible to calculate the grating efficiency from the command line with input/output data in XML format. The PCGrateS(X) GUI and PCGrateS(X) Complete types make it possible to obtain the calculated data using the Graphical User Interface and work with the results including saving, coping, exporting, plotting, printing, etc. The type is determined by a Sentinel HASP® HL USB key, which is shipped with the product.
Key
Parameter

Possible Value

S Series** v.6.6

SX Series** v.6.6

XML

GUI

Complete

XML

GUI

Complete

Wavelength

From xrays to meters

From xrays to meters

From xrays to meters

From xrays to meters

From xrays to meters

From xrays to meters

Minimal wavelengthtoperiod ratio

0.02

0.02

0.02

2.e13

2.e13

2.e13

Diffraction orders range

±100

±100

±100

±10000

±10000

±10000

Maximal number of layers

20

20

20

10000

10000

10000

Nonperiodical structures & nonfunction border profiles

Yes

Yes

Yes

Yes

Yes

Yes

Rigorously accounting random roughness

Yes

Yes

Yes

Yes

Yes

Yes

Gaussian beams, convex & VLS gratings

Yes

Yes

Yes

Yes

Yes

Yes

Photonic crystals

Yes

Yes

Yes

Yes

Yes

Yes

XML input/output format*

Yes

No

Yes

Yes

No

Yes

GUI output format

No

Yes

Yes

No

Yes

Yes

Additional 2D scanning and 3D plot capabilities

No

No

No

No

No

No

*All programs have a GUI>XML converter of input data.
**The oneyear warranty (no errors fixed) and oneyear free updates & technical support are given with all products of the PCGrateS(X) v.6.6 32/64bit Series.
Key
Parameter

Possible Value

S Series** v.6.7

SX Series** v.6.7

XML

GUI

Complete

XML

GUI

Complete

Wavelength

From xrays to meters

From xrays to meters

From xrays to meters

From xrays to meters

From xrays to meters

From xrays to meters

Minimal wavelengthtoperiod ratio

0.02

0.02

0.02

2.e13

2.e13

2.e13

Diffraction orders range

±100

±100

±100

±10000

±10000

±10000

Maximal number of layers

20

20

20

10000

10000

10000

Nonperiodical structures & nonfunction border profiles

Yes

Yes

Yes

Yes

Yes

Yes

Rigorously accounting random roughness

Yes

Yes

Yes

Yes

Yes

Yes

Gaussian beams, convex & VLS gratings

Yes

Yes

Yes

Yes

Yes

Yes

Photonic crystals

Yes

Yes

Yes

Yes

Yes

Yes

XML input/output format*

Yes

No

Yes

Yes

No

Yes

GUI output format

No

Yes

Yes

No

Yes

Yes

Additional 2D scanning and 3D plot capabilities

Yes

Yes

Yes

Yes

Yes

Yes

*All programs have a GUI>XML converter of input data.
**The oneyear warranty (errors fixed at no charge) and oneyear free updates & technical support are given with all products of the PCGrateS(X) v.6.7 32/64bit Series.
Hardware Requirements of the PCGrateS(X) v.6.66.7 32/64bit Series
The PCGrateS(X) v.6.66.7 32/64bit software for Microsoft^{®} Windows^{®} 32/64bit requires:
Microsoft^{®} Windows^{®} 2K/XP/Server 2003/Vista/Server 2008/7/Server 2012/8(.1)/10/Server 2016 or higher installed (Windows 10 or Server 2016 are recommended).
PCcompatible (Intel^{®} Pentium^{®} IV 2 GHz or AMD^{® }Athlon^{®} 2500+ and higher are recommended for better performance) single or multi core/processor computer.
At least 512 MB of free RAM (1024 MB or more for complex problem modelling and paralleling).
Minimum 200 MB of free hard disk space (500 MB or more are recommended for storing complex problem results)
Web and email access for technical support and program updates.
