static void Main(string[] args)
{
// set nmath license key
CenterSpace.NMath.Core.NMathConfiguration.LicenseKey = License.NMath_License_Key;
Console.WriteLine("Program starting");
Console.WriteLine("Loading input parameters from file");
Dictionary<string, object> inputs = new Dictionary<string, object>();
Inputs_to_Dictionary.Add_Input_Parameters_to_Dictionary(ref inputs, "Input_Parameters.txt");
Inputs_to_Dictionary.Add_Input_Parameters_to_Dictionary(ref inputs, "Solver_Config.txt");
Console.WriteLine("Input parameters loaded");
// read in the value of vsg to be used
Console.WriteLine("Enter split gate voltage");
inputs["split_V"] = double.Parse(Console.ReadLine());
Console.WriteLine("Setting \"split_V\" to " + ((double)inputs["split_V"]).ToString() + "V");
// check to make sure it's negative
if ((double)inputs["split_V"] > 0)
{
Console.WriteLine("\"split_V\" has been set positive at " + ((double)inputs["split_V"]).ToString() + "V. Are you sure you want to do this?");
Console.ReadKey();
}
// temporarily, just set the output suffix to something boring
inputs.Add("output_suffix", ".dat");
// initialise the band structure experiment
Experiment exp = new Experiment();
OneD_ThomasFermiPoisson.Experiment exp_init = new OneD_ThomasFermiPoisson.Experiment();
Console.WriteLine("Performing density dopent calculation");
Dictionary<string, object> inputs_init = new Dictionary<string, object>();
inputs_init = inputs.Where(s => s.Key.ToLower().EndsWith("_1d")).ToDictionary(dict => dict.Key.Remove(dict.Key.Length - 3), dict => dict.Value);
inputs_init.Add("BandStructure_File", inputs["BandStructure_File"]);
inputs_init.Add("T", inputs["T"]);
inputs_init.Add("output_suffix", "_1d.dat");
exp_init.Initialise(inputs_init);
exp_init.Run();
inputs.Add("SpinResolved_Density", exp_init.Carrier_Density);
inputs.Add("Dopent_Density", exp_init.Dopent_Density);
inputs.Add("Chemical_Potential", exp_init.Chemical_Potential);
inputs.Add("nz_pot_1d", inputs_init["nz"]);
inputs.Add("zmin_pot_1d", inputs_init["zmin"]);
inputs.Add("zmax_pot_1d", inputs_init["zmax"]);
// get the frozen out surface charge at 70K
if (!inputs.ContainsKey("surface_charge")) inputs.Add("surface_charge", exp_init.Surface_Charge(70.0));
else Console.WriteLine("Surface charge set from Input_Parameters.txt to " + ((double)inputs["surface_charge"]).ToString());
Console.WriteLine("Calculated 1D density for dopents");
// this is a scaled version for the dopents!
double y_scaling = ((double)inputs["nx"] * (double)inputs["dx"]) / ((double)inputs["ny"] * (double)inputs["dy"]);
double z_scaling = ((double)inputs["nx"] * (double)inputs["dx"]) / ((double)inputs["nz"] * (double)inputs["dz"]);
// extract the dopent layer (leaving the top and bottom set to zero)
int dopent_min = -1;
int dopent_max = -2;
ILayer dopent_layer = exp_init.Layers[0];
for (int i = 0; i < exp_init.Layers.Length; i++)
if (exp_init.Layers[i].Donor_Conc != 0.0 || exp_init.Layers[i].Acceptor_Conc != 0)
{
dopent_layer = exp_init.Layers[i];
dopent_min = (int)Math.Round((dopent_layer.Zmin - Geom_Tool.Get_Zmin(exp_init.Layers)) / (int)(double)inputs_init["dz"]);
dopent_max = (int)Math.Round((dopent_layer.Zmax - Geom_Tool.Get_Zmin(exp_init.Layers)) / (int)(double)inputs_init["dz"]);
}
Band_Data tmp_dop_dens_1D = new Band_Data(dopent_max - dopent_min, 0.0);
for (int i = dopent_min + 1; i < dopent_max - 1; i++)
tmp_dop_dens_1D.vec[i - dopent_min] = exp_init.Dopent_Density.Spin_Summed_Data.vec[i];
// and expand into the correct data structure
Band_Data tmp_dop_dens = Input_Band_Structure.Expand_BandStructure(tmp_dop_dens_1D.vec, (int)(double)inputs["nx_1d"], (int)(double)inputs["ny_1d"]);
tmp_dop_dens.Save_3D_Data("dens_3D_dopents.dat", (double)inputs["dx"] * ((double)inputs["nx"] + 1.0) / ((double)inputs["nx_1d"] - 1.0), y_scaling * (double)inputs["dy"] * ((double)inputs["ny"] + 1.0) / ((double)inputs["ny_1d"] - 1.0), z_scaling * (double)inputs["dz_1d"], -1.0 * (double)inputs["dx"] * ((double)inputs["nx"] + 1.0) / 2.0, -1.0 * y_scaling * (double)inputs["dy"] * ((double)inputs["ny"] + 1.0) / 2.0, z_scaling * dopent_layer.Zmin);
Console.WriteLine("Saved 1D dopent density");
Console.WriteLine("Starting experiment");
exp.Initialise(inputs);
Console.WriteLine("Experiment initialised");
exp.Run();
Console.WriteLine("Experiment complete");
}
static void Main(string[] args)
{
// set nmath license key
CenterSpace.NMath.Core.NMathConfiguration.LicenseKey = License.NMath_License_Key;
Console.WriteLine("Program starting");
Console.WriteLine("Loading input parameters from file");
Dictionary <string, object> inputs = new Dictionary <string, object>();
Inputs_to_Dictionary.Add_Input_Parameters_to_Dictionary(ref inputs, "Input_Parameters.txt");
Inputs_to_Dictionary.Add_Input_Parameters_to_Dictionary(ref inputs, "Solver_Config.txt");
Console.WriteLine("Input parameters loaded");
// read in the value of vsg to be used
Console.WriteLine("Enter split gate voltage");
inputs["split_V"] = double.Parse(Console.ReadLine());
Console.WriteLine("Setting \"split_V\" to " + ((double)inputs["split_V"]).ToString() + "V");
// check to make sure it's negative
if ((double)inputs["split_V"] > 0)
{
Console.WriteLine("\"split_V\" has been set positive at " + ((double)inputs["split_V"]).ToString() + "V. Are you sure you want to do this?");
Console.ReadKey();
}
// temporarily, just set the output suffix to something boring
inputs.Add("output_suffix", ".dat");
// initialise the band structure experiment
Experiment exp = new Experiment();
OneD_ThomasFermiPoisson.Experiment exp_init = new OneD_ThomasFermiPoisson.Experiment();
Console.WriteLine("Performing density dopent calculation");
Dictionary <string, object> inputs_init = new Dictionary <string, object>();
inputs_init = inputs.Where(s => s.Key.ToLower().EndsWith("_1d")).ToDictionary(dict => dict.Key.Remove(dict.Key.Length - 3), dict => dict.Value);
inputs_init.Add("BandStructure_File", inputs["BandStructure_File"]);
inputs_init.Add("T", inputs["T"]);
inputs_init.Add("output_suffix", "_1d.dat");
exp_init.Initialise(inputs_init);
exp_init.Run();
inputs.Add("SpinResolved_Density", exp_init.Carrier_Density);
inputs.Add("Dopent_Density", exp_init.Dopent_Density);
inputs.Add("Chemical_Potential", exp_init.Chemical_Potential);
inputs.Add("nz_pot_1d", inputs_init["nz"]);
inputs.Add("zmin_pot_1d", inputs_init["zmin"]);
inputs.Add("zmax_pot_1d", inputs_init["zmax"]);
// get the frozen out surface charge at 70K
if (!inputs.ContainsKey("surface_charge"))
{
inputs.Add("surface_charge", exp_init.Surface_Charge(70.0));
}
else
{
Console.WriteLine("Surface charge set from Input_Parameters.txt to " + ((double)inputs["surface_charge"]).ToString());
}
Console.WriteLine("Calculated 1D density for dopents");
// this is a scaled version for the dopents!
double y_scaling = ((double)inputs["nx"] * (double)inputs["dx"]) / ((double)inputs["ny"] * (double)inputs["dy"]);
double z_scaling = ((double)inputs["nx"] * (double)inputs["dx"]) / ((double)inputs["nz"] * (double)inputs["dz"]);
// extract the dopent layer (leaving the top and bottom set to zero)
int dopent_min = -1;
int dopent_max = -2;
ILayer dopent_layer = exp_init.Layers[0];
for (int i = 0; i < exp_init.Layers.Length; i++)
{
if (exp_init.Layers[i].Donor_Conc != 0.0 || exp_init.Layers[i].Acceptor_Conc != 0)
{
dopent_layer = exp_init.Layers[i];
dopent_min = (int)Math.Round((dopent_layer.Zmin - Geom_Tool.Get_Zmin(exp_init.Layers)) / (int)(double)inputs_init["dz"]);
dopent_max = (int)Math.Round((dopent_layer.Zmax - Geom_Tool.Get_Zmin(exp_init.Layers)) / (int)(double)inputs_init["dz"]);
}
}
Band_Data tmp_dop_dens_1D = new Band_Data(dopent_max - dopent_min, 0.0);
for (int i = dopent_min + 1; i < dopent_max - 1; i++)
{
tmp_dop_dens_1D.vec[i - dopent_min] = exp_init.Dopent_Density.Spin_Summed_Data.vec[i];
}
// and expand into the correct data structure
Band_Data tmp_dop_dens = Input_Band_Structure.Expand_BandStructure(tmp_dop_dens_1D.vec, (int)(double)inputs["nx_1d"], (int)(double)inputs["ny_1d"]);
tmp_dop_dens.Save_3D_Data("dens_3D_dopents.dat", (double)inputs["dx"] * ((double)inputs["nx"] + 1.0) / ((double)inputs["nx_1d"] - 1.0), y_scaling * (double)inputs["dy"] * ((double)inputs["ny"] + 1.0) / ((double)inputs["ny_1d"] - 1.0), z_scaling * (double)inputs["dz_1d"], -1.0 * (double)inputs["dx"] * ((double)inputs["nx"] + 1.0) / 2.0, -1.0 * y_scaling * (double)inputs["dy"] * ((double)inputs["ny"] + 1.0) / 2.0, z_scaling * dopent_layer.Zmin);
Console.WriteLine("Saved 1D dopent density");
Console.WriteLine("Starting experiment");
exp.Initialise(inputs);
Console.WriteLine("Experiment initialised");
exp.Run();
Console.WriteLine("Experiment complete");
}
