Einlesen der Daten. Zuletzt wird kontrolliert, ob H tatsächlich hermitesch ist.

Clear["Global`*"];
P2m=13;
Q2m=6;
E0=1.519;
E0′=4.488;
Δ0=0.34;
Δ0′=0.171;
ℏ=1;
m=1;
L=-ℏ^2P2m/(m E0);
M=-ℏ^2Q2m/(m E0′);
L′=-ℏ^2P2m/(m(E0+Δ0));
M′=-ℏ^2Q2m/(m(E0′+Δ0′));
H11=ℏ^2( kx^2+ky^2+kz^2)/(2m)+(L+M)(kx^2+ky^2)/2+M kz^2;
H12=-(L+M)/(Sqrt[3])(kx kz-I ky kz);
H13=-1/(2Sqrt[3])((L-M)(kx^2-ky^2)-2I(L+M)kx ky);
H14=0;
H15=1/(Sqrt[2])H12;
H16=-Sqrt[2]H13;
H21=Conjugate[H12];
H22=ℏ^2(kx^2+ky^2+kz^2)/(2m)+(M+2L)(kx^2+ky^2+kz^2)/3-(L-M)(kx^2+ky^2)/2;
H23=0;
H24=H13;
H25=(H22-H11)/Sqrt[2];
H26=Sqrt[3/2]H12;
H31=Conjugate[H13];
H32=Conjugate[H23];
H33=H22;
H34=-H12;
H35=-Conjugate[H26];
H36=H25;
H41=Conjugate[H14];
H42=Conjugate[H24];
H43=Conjugate[H34];
H44=H11;
H45=-Sqrt[2]Conjugate[H13];
H46=-Conjugate[H15];
H51=Conjugate[H15];
H52=Conjugate[H25];
H53=Conjugate[H35];
H54=Conjugate[H45];
H55=ℏ^2(kx^2+ky^2+kz^2)/(2m)+(2M′+L′)(kx^2+ky^2+kz^2)/3+Δ0;
H56=0;
H61=Conjugate[H16];
H62=Conjugate[H26];
H63=Conjugate[H36];
H64=Conjugate[H46];
H65=Conjugate[H56];
H66=H55;
H={
{H11,H12,H13,H14,H15,H16},
{H21,H22,H23,H24,H25,H26},
{H31,H32,H33,H34,H35,H36},
{H41,H42,H43,H44,H45,H46},
{H51,H52,H53,H54,H55,H56},
{H61,H62,H63,H64,H65,H66}
};
MatrixForm[Simplify[Chop[Refine[H-ConjugateTranspose[H],Assumptions->{kx∈Integers,ky∈Integers,kz∈Integers}]]]]

Beispielhafte Lösung des Eigenwertproblems für ((Subscript[k, x])=1 , 0 , 0).

kx=1;
ky=0;
kz=0;
Eigenvalues[H]