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Program to calculate vertical threading dislocation density in hexagonal epitaxial layer with (0001)-interfaces from double-crystal scans. Simultaneous fit to multiple data files is possible.

Requirements

Following programs should be present on your computer

  • gcc compiler
  • cmake

Following libraries should be present on your computer

Following libraries will be installed by cmake

Build

From command line in the program folder type following:

  1. mkdir build
  2. cd build/
  3. cmake ..
  4. make
  5. (optional) ln -s /home/user/folder-with-program/DislScatHexFITThreadingMult/build/DislScatCubFITThreadingMult /home/user/bin/DislScatHexFITThreadingMult

After 4-th step you may find DislScatHexFITThreadingMult in the build/ directory.

After 5-th step, you will be able then run your program from any location simply typing DislScatHexFITThreadingMult in a terminal window.

Usage

####Suggested folder structure: .
├── config
│   ├── data.cfg
│   ├── fit.cfg
│   ├── sample.cfg
├── data1.dat
├── data2.dat
├── ...
├── datan.dat

Data files should mandatory contain (at least) two columns entitled in the header as follows:
# [omega] [intensity]
or
# [domega] [intensity]
if 0-point is in the peak center. [omega]-column values should be in degrees.

Each added datafile should possess the following record in the data.cfg configuration file:
{
file = "relative_path/data.dat";
Q = [ H, K, I, L ];
resolution :
{
x = double_value;
z = double_value;
}; I0 = double_value;
Ibg = double_value;
}
Do not forget to add record
{
name = "Data.[index].I0";
minVal = double_value;
maxVal = double_value;
}
to fit.cfg upon addition of a new datafile. This will add a new intensity-scale fit variable. Normally, you always want to fit intensity scale.

####To run the program type: DislScatHexFITThreadingMult config/

####Folder structure after run:
. ├── config
│   ├── data.cfg
│   ├── data.~cfg
│   ├── fit.cfg
│   ├── resume.txt
│   ├── sample.cfg
│   ├── sample.~cfg
│   ├── data1.ft
│   ├── data2.ft
│   ├── ...
│   └── datan.ft
├── data1.dat
├── data2.dat
├── ...
└── datan.dat

Tested on

Linux Mint 17 Ubuntu 12.04, 14.04

About

Simultaneous fit of multiple data files containing rocking curves measured in double-crystal skew geometry (Hexagonal case)

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