public bool IsStable()
{
foreach (double element in EigenValues.Real())
{
if (element > 0)
{
return(false);
}
}
return(true);
}
/// <summary>
/// 平行ビームの電子回折計算
/// </summary>
/// <param name="maxNumOfBloch"></param>
/// <param name="voltage"></param>
/// <param name="rotation"></param>
/// <param name="thickness"></param>
/// <returns></returns>
public Beam[] GetDifractedBeamAmpriltudes(int maxNumOfBloch, double voltage, Matrix3D rotation, double thickness)
{
var useEigen = !MathNet.Numerics.Control.TryUseNativeMKL();
if (AccVoltage != voltage)
{
uDictionary = new Dictionary <int, (Complex, Complex)>();
}
//波数を計算
var k_vac = UniversalConstants.Convert.EnergyToElectronWaveNumber(voltage);
//U0を計算
var u0 = getU(voltage, (0, 0, 0), 0).Real.Real;
var vecK0 = getVecK0(k_vac, u0);
if (MaxNumOfBloch != maxNumOfBloch || AccVoltage != voltage || EigenValues == null || EigenVectors == null || !rotation.Equals(BaseRotation))
{
MaxNumOfBloch = maxNumOfBloch;
AccVoltage = voltage;
BaseRotation = new Matrix3D(rotation);
Thickness = thickness;
//計算対象のg-Vectorsを決める。
Beams = Find_gVectors(BaseRotation, vecK0);
if (Beams == null || Beams.Length == 0)
{
return(new Beam[0]);
}
var potentialMatrix = getEigenProblemMatrix(Beams);
//A行列に関する固有値、固有ベクトルを取得
if (useEigen)
{
(EigenValues, EigenVectors) = NativeWrapper.EigenSolver(potentialMatrix);
}
else
{
var evd = DMat.OfArray(potentialMatrix).Evd(Symmetricity.Asymmetric);
EigenValues = evd.EigenValues.AsArray();
EigenVectors = (DMat)evd.EigenVectors;
}
//(EigenVectors, EigenValues) = RefineEigenProblem(DMat.OfArray(potentialMatrix), (DMat)evd.EigenVectors, evd.EigenValues.ToArray());
}
int len = EigenValues.Count();
var psi0 = DVec.OfArray(new Complex[len]);//入射面での波動関数を定義
psi0[0] = 1;
var alpha = EigenVectors.Inverse() * psi0;//アルファベクトルを求める
//ガンマの対称行列×アルファを作成
var gamma_alpha = new DVec(Enumerable.Range(0, len).Select(n => Exp(TwoPiI * EigenValues[n] * thickness) * alpha[n]).ToArray());
//出射面での境界条件を考慮した位相にするため、以下の1行を追加 (20190827)
var p = new DiagonalMatrix(len, len, Beams.Select(b => Exp(PiI * (b.P - 2 * k_vac * Surface.Z) * thickness)).ToArray());
//var p = new DiagonalMatrix(len, len, Beams.Select(b => new Complex(1, 0)).ToArray());
//深さZにおけるψを求める
var psi_atZ = p * EigenVectors * gamma_alpha;
for (int i = 0; i < Beams.Length && i < len; i++)
{
Beams[i].Psi = psi_atZ[i];
}
return(Beams);
}
// AD conversion functions
private double CheckAliasing(double coeff = 0.1)
{
double lambda_max = EigenValues.AbsoluteMaximum().Magnitude;
return(coeff / lambda_max);
}
