1 #ifndef QNANO_NEW_SLATER_KOSTER_FROM_TB_HOPPING_PARAMETER 2 #define QNANO_NEW_SLATER_KOSTER_FROM_TB_HOPPING_PARAMETER 4 #include "orbitals/Select_Orbitals_List.h" 5 #include "orbitals/Slater_Koster.h" 6 #include "tightbinding/TB_Hopping_Parameter_List.h" 13 typedef double (*fct_type_noHarrison) (
const TB_Hopping_Parameter *, double, double, double);
15 static double s_s_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
16 static double s_s(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
19 static double s_px_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
20 static double s_px(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
22 static double s_py_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
23 static double s_py(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
25 static double s_pz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
26 static double s_pz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
29 static double px_s_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
30 static double px_s(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
32 static double py_s_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
33 static double py_s(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
35 static double pz_s_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
36 static double pz_s(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
39 static double sstar_sstar_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
40 static double sstar_sstar(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
42 static double s_sstar_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
43 static double s_sstar(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
45 static double sstar_s_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
46 static double sstar_s(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
48 static double sstar_px_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
49 static double sstar_px(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
51 static double sstar_py_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
52 static double sstar_py(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
54 static double sstar_pz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
55 static double sstar_pz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
57 static double px_sstar_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
58 static double px_sstar(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
60 static double py_sstar_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
61 static double py_sstar(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
63 static double pz_sstar_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
64 static double pz_sstar(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
67 static double px_px_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
68 static double px_px(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
70 static double px_py_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
71 static double px_py(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
73 static double px_pz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
74 static double px_pz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
76 static double py_px_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
77 static double py_px(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
79 static double py_py_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
80 static double py_py(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
82 static double py_pz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
83 static double py_pz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
85 static double pz_px_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
86 static double pz_px(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
88 static double pz_py_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
89 static double pz_py(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
91 static double pz_pz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
92 static double pz_pz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
95 static double s_dxy_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
96 static double s_dxy(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
98 static double sstar_dxy_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
99 static double sstar_dxy(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
101 static double dxy_s_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
102 static double dxy_s(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
104 static double dxy_sstar_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
105 static double dxy_sstar(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
107 static double px_dxy_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
108 static double px_dxy(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
110 static double py_dxy_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
111 static double py_dxy(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
113 static double pz_dxy_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
114 static double pz_dxy(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
116 static double dxy_px_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
117 static double dxy_px(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
119 static double dxy_py_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
120 static double dxy_py(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
122 static double dxy_pz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
123 static double dxy_pz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
126 static double s_dyz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
127 static double s_dyz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
129 static double sstar_dyz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
130 static double sstar_dyz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
132 static double dyz_s_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
133 static double dyz_s(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
135 static double dyz_sstar_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
136 static double dyz_sstar(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
138 static double px_dyz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
139 static double px_dyz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
141 static double py_dyz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
142 static double py_dyz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
144 static double pz_dyz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
145 static double pz_dyz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
147 static double dyz_px_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
148 static double dyz_px(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
150 static double dyz_py_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
151 static double dyz_py(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
153 static double dyz_pz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
154 static double dyz_pz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
157 static double s_dxz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
158 static double s_dxz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
160 static double sstar_dxz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
161 static double sstar_dxz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
163 static double dxz_s_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
164 static double dxz_s(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
166 static double dxz_sstar_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
167 static double dxz_sstar(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
169 static double px_dxz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
170 static double px_dxz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
172 static double py_dxz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
173 static double py_dxz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
175 static double pz_dxz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
176 static double pz_dxz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
178 static double dxz_px_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
179 static double dxz_px(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
181 static double dxz_py_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
182 static double dxz_py(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
184 static double dxz_pz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
185 static double dxz_pz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
188 static double s_dx2y2_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
189 static double s_dx2y2(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
191 static double sstar_dx2y2_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
192 static double sstar_dx2y2(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
194 static double dx2y2_s_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
195 static double dx2y2_s(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
197 static double dx2y2_sstar_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
198 static double dx2y2_sstar(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
200 static double px_dx2y2_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
201 static double px_dx2y2(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
203 static double py_dx2y2_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
204 static double py_dx2y2(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
206 static double pz_dx2y2_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
207 static double pz_dx2y2(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
209 static double dx2y2_px_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
210 static double dx2y2_px(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
212 static double dx2y2_py_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
213 static double dx2y2_py(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
215 static double dx2y2_pz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
216 static double dx2y2_pz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
219 static double s_dz2_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
220 static double s_dz2(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
222 static double sstar_dz2_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
223 static double sstar_dz2(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
225 static double dz2_s_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
226 static double dz2_s(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
228 static double dz2_sstar_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
229 static double dz2_sstar(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
231 static double px_dz2_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
232 static double px_dz2(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
234 static double py_dz2_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
235 static double py_dz2(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
237 static double pz_dz2_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
238 static double pz_dz2(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
240 static double dz2_px_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
241 static double dz2_px(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
243 static double dz2_py_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
244 static double dz2_py(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
246 static double dz2_pz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
247 static double dz2_pz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
250 static double dxy_dxy_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
251 static double dxy_dxy(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
253 static double dyz_dyz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
254 static double dyz_dyz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
256 static double dxz_dxz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
257 static double dxz_dxz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
259 static double dx2y2_dx2y2_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
260 static double dx2y2_dx2y2(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
262 static double dz2_dz2_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
263 static double dz2_dz2(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
266 static double dxy_dyz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
267 static double dxy_dyz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
269 static double dxy_dxz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
270 static double dxy_dxz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
272 static double dxy_dx2y2_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
273 static double dxy_dx2y2(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
275 static double dxy_dz2_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
276 static double dxy_dz2(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
279 static double dyz_dxy_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
280 static double dyz_dxy(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
282 static double dyz_dxz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
283 static double dyz_dxz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
285 static double dyz_dx2y2_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
286 static double dyz_dx2y2(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
288 static double dyz_dz2_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
289 static double dyz_dz2(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
292 static double dxz_dxy_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
293 static double dxz_dxy(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
295 static double dxz_dyz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
296 static double dxz_dyz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
298 static double dxz_dx2y2_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
299 static double dxz_dx2y2(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
301 static double dxz_dz2_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
302 static double dxz_dz2(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
305 static double dx2y2_dxy_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
306 static double dx2y2_dxy(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
308 static double dx2y2_dyz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
309 static double dx2y2_dyz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
311 static double dx2y2_dxz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
312 static double dx2y2_dxz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
314 static double dx2y2_dz2_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
315 static double dx2y2_dz2(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
318 static double dz2_dxy_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
319 static double dz2_dxy(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
321 static double dz2_dyz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
322 static double dz2_dyz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
324 static double dz2_dxz_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
325 static double dz2_dxz(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
327 static double dz2_dx2y2_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
328 static double dz2_dx2y2(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
330 static double dummy(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N,
double d0overd);
331 static double dummy_noHarrison(
const TB_Hopping_Parameter * par_typ,
double L,
double M,
double N);
335 static const fct_type hoppings[20][20];
336 static fct_type get_hopping(
size_t o0,
size_t o1);
338 static const fct_type_noHarrison hoppings_noHarrison[20][20];
339 static fct_type_noHarrison get_hopping_noHarrison(
size_t o0,
size_t o1);
Definition: TB_Hopping_Parameter.h:11
Associate Orbitals to Slater-Koster matrix elements.
Definition: Slater_Koster_From_TB_Hopping_Parameter.h:10