HΦ  3.1.0
Pyrochlore.c
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1 /*
2 HPhi-mVMC-StdFace - Common input generator
3 Copyright (C) 2015 The University of Tokyo
4 
5 This program is free software: you can redistribute it and/or modify
6 it under the terms of the GNU General Public License as published by
7 the Free Software Foundation, either version 3 of the License, or
8 (at your option) any later version.
9 
10 This program is distributed in the hope that it will be useful,
11 but WITHOUT ANY WARRANTY; without even the implied warranty of
12 MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
13 GNU General Public License for more details.
14 
15 You should have received a copy of the GNU General Public License
16 along with this program. If not, see <http://www.gnu.org/licenses/>.
17 */
21 #include "StdFace_vals.h"
22 #include "StdFace_ModelUtil.h"
23 #include <stdlib.h>
24 #include <stdio.h>
25 #include <math.h>
26 #include <complex.h>
27 #include <string.h>
28 
33 void StdFace_Pyrochlore(
34  struct StdIntList *StdI
35 )
36 {
37  int isite, jsite, isiteUC, ntransMax, nintrMax;
38  int iL, iW, iH, kCell;
39  FILE *fp;
40  double complex Cphase;
41  double dR[3];
42 
46  fp = fopen("lattice.xsf", "w");
47 
48  StdI->NsiteUC = 4;
49 
50  fprintf(stdout, " @ Lattice Size & Shape\n\n");
51 
52  StdFace_PrintVal_d("a", &StdI->a, 1.0);
53  StdFace_PrintVal_d("Wlength", &StdI->length[0], StdI->a);
54  StdFace_PrintVal_d("Llength", &StdI->length[1], StdI->a);
55  StdFace_PrintVal_d("Hlength", &StdI->length[2], StdI->a);
56  StdFace_PrintVal_d("Wx", &StdI->direct[0][0], 0.0);
57  StdFace_PrintVal_d("Wy", &StdI->direct[0][1], 0.5 * StdI->length[0]);
58  StdFace_PrintVal_d("Wz", &StdI->direct[0][2], 0.5 * StdI->length[0]);
59  StdFace_PrintVal_d("Lx", &StdI->direct[1][0], 0.5 * StdI->length[1]);
60  StdFace_PrintVal_d("Ly", &StdI->direct[1][1], 0.0);
61  StdFace_PrintVal_d("Lz", &StdI->direct[1][2], 0.5 * StdI->length[1]);
62  StdFace_PrintVal_d("Hx", &StdI->direct[2][0], 0.5 * StdI->length[2]);
63  StdFace_PrintVal_d("Hy", &StdI->direct[2][1], 0.5 * StdI->length[2]);
64  StdFace_PrintVal_d("Hz", &StdI->direct[2][2], 0.0);
65 
66  StdFace_PrintVal_d("phase0", &StdI->phase[0], 0.0);
67  StdFace_PrintVal_d("phase1", &StdI->phase[1], 0.0);
68  StdFace_PrintVal_d("phase2", &StdI->phase[2], 0.0);
69 
70  StdFace_InitSite(StdI, fp, 3);
71  StdI->tau[0][0] = 0.0; StdI->tau[0][1] = 0.0; ; StdI->tau[0][2] = 0.0;
72  StdI->tau[1][0] = 0.5; StdI->tau[1][1] = 0.0; ; StdI->tau[1][2] = 0.0;
73  StdI->tau[2][0] = 0.0; StdI->tau[2][1] = 0.5; ; StdI->tau[2][2] = 0.0;
74  StdI->tau[3][0] = 0.0; StdI->tau[3][1] = 0.0; ; StdI->tau[3][2] = 0.5;
78  fprintf(stdout, "\n @ Hamiltonian \n\n");
79  StdFace_NotUsed_d("K", StdI->K);
80  StdFace_PrintVal_d("h", &StdI->h, 0.0);
81  StdFace_PrintVal_d("Gamma", &StdI->Gamma, 0.0);
82 
83  if (strcmp(StdI->model, "spin") == 0 ) {
84  StdFace_PrintVal_i("2S", &StdI->S2, 1);
85  StdFace_PrintVal_d("D", &StdI->D[2][2], 0.0);
86  StdFace_InputSpinNN(StdI, StdI->J0, StdI->J0All, "J0");
87  StdFace_InputSpinNN(StdI, StdI->J1, StdI->J1All, "J1");
88  StdFace_InputSpinNN(StdI, StdI->J2, StdI->J2All, "J2");
89  StdFace_InputSpinNN(StdI, StdI->J0p, StdI->J0pAll, "J0'");
90  StdFace_InputSpinNN(StdI, StdI->J1p, StdI->J1pAll, "J1'");
91  StdFace_InputSpinNN(StdI, StdI->J2p, StdI->J2pAll, "J2'");
92  StdFace_InputSpin(StdI, StdI->Jpp, StdI->JppAll, "J''");
93 
94  StdFace_NotUsed_d("mu", StdI->mu);
95  StdFace_NotUsed_d("U", StdI->U);
96  StdFace_NotUsed_c("t", StdI->t);
97  StdFace_NotUsed_c("t0", StdI->t0);
98  StdFace_NotUsed_c("t1", StdI->t1);
99  StdFace_NotUsed_c("t2", StdI->t2);
100  StdFace_NotUsed_c("t'", StdI->tp);
101  StdFace_NotUsed_c("t0'", StdI->t0p);
102  StdFace_NotUsed_c("t1'", StdI->t1p);
103  StdFace_NotUsed_c("t2'", StdI->t2p);
104  StdFace_NotUsed_c("t''", StdI->tpp);
105  StdFace_NotUsed_d("V", StdI->V);
106  StdFace_NotUsed_d("V0", StdI->V0);
107  StdFace_NotUsed_d("V1", StdI->V1);
108  StdFace_NotUsed_d("V'", StdI->Vp);
109  }/*if (strcmp(StdI->model, "spin") == 0 )*/
110  else {
111  StdFace_PrintVal_d("mu", &StdI->mu, 0.0);
112  StdFace_PrintVal_d("U", &StdI->U, 0.0);
113  StdFace_InputHopp(StdI, &StdI->t0, "t0");
114  StdFace_InputHopp(StdI, &StdI->t1, "t1");
115  StdFace_InputHopp(StdI, &StdI->t2, "t2");
116  StdFace_InputHopp(StdI, &StdI->t0p, "t0'");
117  StdFace_InputHopp(StdI, &StdI->t1p, "t1'");
118  StdFace_InputHopp(StdI, &StdI->t2p, "t2'");
119  StdFace_InputCoulombV(StdI, &StdI->V0, "V0");
120  StdFace_InputCoulombV(StdI, &StdI->V1, "V1");
121  StdFace_InputCoulombV(StdI, &StdI->V2, "V2");
122  StdFace_InputCoulombV(StdI, &StdI->V0p, "V0'");
123  StdFace_InputCoulombV(StdI, &StdI->V1p, "V1'");
124  StdFace_InputCoulombV(StdI, &StdI->V2p, "V2'");
125 
126  StdFace_NotUsed_J("J0", StdI->J0All, StdI->J0);
127  StdFace_NotUsed_J("J1", StdI->J1All, StdI->J1);
128  StdFace_NotUsed_J("J2", StdI->J2All, StdI->J2);
129  StdFace_NotUsed_J("J0'", StdI->J0pAll, StdI->J0p);
130  StdFace_NotUsed_J("J1'", StdI->J1pAll, StdI->J1p);
131  StdFace_NotUsed_J("J2'", StdI->J2pAll, StdI->J2p);
132  StdFace_NotUsed_J("J''", StdI->JppAll, StdI->Jpp);
133  StdFace_NotUsed_d("D", StdI->D[2][2]);
134 
135  if (strcmp(StdI->model, "hubbard") == 0 ) {
136  StdFace_NotUsed_i("2S", StdI->S2);
137  StdFace_NotUsed_J("J", StdI->JAll, StdI->J);
138  }/*if (strcmp(StdI->model, "hubbard") == 0 )*/
139  else {
140  StdFace_PrintVal_i("2S", &StdI->S2, 1);
141  StdFace_InputSpin(StdI, StdI->J, StdI->JAll, "J");
142  }/*if (model != "hubbard")*/
143 
144  }/*if (model != "spin")*/
145  fprintf(stdout, "\n @ Numerical conditions\n\n");
150  StdI->nsite = StdI->NsiteUC * StdI->NCell;
151  if (strcmp(StdI->model, "kondo") == 0 ) StdI->nsite *= 2;
152  StdI->locspinflag = (int *)malloc(sizeof(int) * StdI->nsite);
153 
154  if(strcmp(StdI->model, "spin") == 0 )
155  for (isite = 0; isite < StdI->nsite; isite++) StdI->locspinflag[isite] = StdI->S2;
156  else if(strcmp(StdI->model, "hubbard") == 0 )
157  for (isite = 0; isite < StdI->nsite; isite++) StdI->locspinflag[isite] = 0;
158  else
159  for (iL = 0; iL < StdI->nsite / 2; iL++) {
160  StdI->locspinflag[iL] = StdI->S2;
161  StdI->locspinflag[iL + StdI->nsite / 2] = 0;
162  }
166  if (strcmp(StdI->model, "spin") == 0 ) {
167  ntransMax = StdI->nsite * (StdI->S2 + 1/*h*/ + 2 * StdI->S2/*Gamma*/);
168  nintrMax = StdI->NCell * (StdI->NsiteUC/*D*/ + 12/*J*/ + 0/*J'*/ + 0/*J''*/)
169  * (3 * StdI->S2 + 1) * (3 * StdI->S2 + 1);
170  }
171  else {
172  ntransMax = StdI->NCell * 2/*spin*/ * (2 * StdI->NsiteUC/*mu+h+Gamma*/ + 24/*t*/ + 0/*t'*/ + 0/*t''*/);
173  nintrMax = StdI->NCell * (StdI->NsiteUC/*U*/ + 4 * (12/*V*/ + 0/*V'*/ + 0/*V''*/));
174 
175  if (strcmp(StdI->model, "kondo") == 0) {
176  ntransMax += StdI->nsite / 2 * (StdI->S2 + 1/*h*/ + 2 * StdI->S2/*Gamma*/);
177  nintrMax += StdI->nsite / 2 * (3 * StdI->S2 + 1) * (3 * StdI->S2 + 1);
178  }
179  }
180 
181  StdFace_MallocInteractions(StdI, ntransMax, nintrMax);
185  for (kCell = 0; kCell < StdI->NCell; kCell++){
186 
187  iW = StdI->Cell[kCell][0];
188  iL = StdI->Cell[kCell][1];
189  iH = StdI->Cell[kCell][2];
190  /*
191  (1) Local term
192  */
193  isite = StdI->NsiteUC * kCell;
194  if (strcmp(StdI->model, "kondo") == 0) isite += StdI->nsite / 2;
195 
196  if (strcmp(StdI->model, "spin") == 0) {
197  for (isiteUC = 0; isiteUC < StdI->NsiteUC; isiteUC++) {
198  StdFace_MagField(StdI, StdI->S2, -StdI->h, -StdI->Gamma, isite + isiteUC);
199  StdFace_GeneralJ(StdI, StdI->D, StdI->S2, StdI->S2, isite + isiteUC, isite + isiteUC);
200  }/*for (isiteUC = 0; isiteUC < StdI->NsiteUC; isiteUC++)*/
201  }/*if (strcmp(StdI->model, "spin") == 0 )*/
202  else {
203  for (isiteUC = 0; isiteUC < StdI->NsiteUC; isiteUC++) {
204  StdFace_HubbardLocal(StdI, StdI->mu, -StdI->h, -StdI->Gamma, StdI->U, isite + isiteUC);
205  }/*for (isiteUC = 0; isiteUC < StdI->NsiteUC; isiteUC++)*/
206 
207  if (strcmp(StdI->model, "kondo") == 0) {
208  jsite = StdI->NsiteUC * kCell;
209  for (isiteUC = 0; isiteUC < StdI->NsiteUC; isiteUC++) {
210  StdFace_GeneralJ(StdI, StdI->J, 1, StdI->S2, isite + 3, jsite + isiteUC);
211  StdFace_MagField(StdI, StdI->S2, -StdI->h, -StdI->Gamma, jsite + isiteUC);
212  }/*for (isiteUC = 0; isiteUC < StdI->NsiteUC; isiteUC++)*/
213  }/*if (strcmp(StdI->model, "kondo") == 0 )*/
214  }/*if (strcmp(StdI->model, "spin") != 0 )*/
215  /*
216  (2) Intra-Cell along W
217  */
218  StdFace_FindSite(StdI, iW, iL, iH, 0, 0, 0, 0, 1, &isite, &jsite, &Cphase, dR);
219 
220  if (strcmp(StdI->model, "spin") == 0 ) {
221  StdFace_GeneralJ(StdI, StdI->J0, StdI->S2, StdI->S2, isite, jsite);
222  }/*if (strcmp(StdI->model, "spin") == 0 )*/
223  else {
224  StdFace_Hopping(StdI, Cphase * StdI->t0, isite, jsite, dR);
225  StdFace_Coulomb(StdI, StdI->V0, isite, jsite);
226  }
227  /*
228  (3) Intra-Cell along L
229  */
230  StdFace_FindSite(StdI, iW, iL, iH, 0, 0, 0, 0, 2, &isite, &jsite, &Cphase, dR);
231 
232  if (strcmp(StdI->model, "spin") == 0) {
233  StdFace_GeneralJ(StdI, StdI->J1, StdI->S2, StdI->S2, isite, jsite);
234  }/*if (strcmp(StdI->model, "spin") == 0 )*/
235  else {
236  StdFace_Hopping(StdI, Cphase * StdI->t1, isite, jsite, dR);
237  StdFace_Coulomb(StdI, StdI->V1, isite, jsite);
238  }
239  /*
240  (4) Intra-Cell along H
241  */
242  StdFace_FindSite(StdI, iW, iL, iH, 0, 0, 0, 0, 3, &isite, &jsite, &Cphase, dR);
243 
244  if (strcmp(StdI->model, "spin") == 0) {
245  StdFace_GeneralJ(StdI, StdI->J2, StdI->S2, StdI->S2, isite, jsite);
246  }/*if (strcmp(StdI->model, "spin") == 0 )*/
247  else {
248  StdFace_Hopping(StdI, Cphase * StdI->t2, isite, jsite, dR);
249  StdFace_Coulomb(StdI, StdI->V2, isite, jsite);
250  }
251  /*
252  (5) Intra-Cell along L-H
253  */
254  StdFace_FindSite(StdI, iW, iL, iH, 0, 0, 0, 2, 3, &isite, &jsite, &Cphase, dR);
255 
256  if (strcmp(StdI->model, "spin") == 0) {
257  StdFace_GeneralJ(StdI, StdI->J0p, StdI->S2, StdI->S2, isite, jsite);
258  }/*if (strcmp(StdI->model, "spin") == 0 )*/
259  else {
260  StdFace_Hopping(StdI, Cphase * StdI->t0p, isite, jsite, dR);
261  StdFace_Coulomb(StdI, StdI->V0p, isite, jsite);
262  }
263  /*
264  (6) Intra-Cell along H-W
265  */
266  StdFace_FindSite(StdI, iW, iL, iH, 0, 0, 0, 3, 1, &isite, &jsite, &Cphase, dR);
267 
268  if (strcmp(StdI->model, "spin") == 0) {
269  StdFace_GeneralJ(StdI, StdI->J1p, StdI->S2, StdI->S2, isite, jsite);
270  }/*if (strcmp(StdI->model, "spin") == 0 )*/
271  else {
272  StdFace_Hopping(StdI, Cphase * StdI->t1p, isite, jsite, dR);
273  StdFace_Coulomb(StdI, StdI->V1p, isite, jsite);
274  }
275  /*
276  (7) Intra-Cell along W-L
277  */
278  StdFace_FindSite(StdI, iW, iL, iH, 0, 0, 0, 1, 2, &isite, &jsite, &Cphase, dR);
279 
280  if (strcmp(StdI->model, "spin") == 0) {
281  StdFace_GeneralJ(StdI, StdI->J2p, StdI->S2, StdI->S2, isite, jsite);
282  }/*if (strcmp(StdI->model, "spin") == 0 )*/
283  else {
284  StdFace_Hopping(StdI, Cphase * StdI->t2p, isite, jsite, dR);
285  StdFace_Coulomb(StdI, StdI->V2p, isite, jsite);
286  }
287  /*
288  (8) Inter-Cell along W
289  */
290  StdFace_FindSite(StdI, iW, iL, iH, 1, 0, 0, 1, 0, &isite, &jsite, &Cphase, dR);
291 
292  if (strcmp(StdI->model, "spin") == 0) {
293  StdFace_GeneralJ(StdI, StdI->J0, StdI->S2, StdI->S2, isite, jsite);
294  }/*if (strcmp(StdI->model, "spin") == 0 )*/
295  else {
296  StdFace_Hopping(StdI, Cphase * StdI->t0, isite, jsite, dR);
297  StdFace_Coulomb(StdI, StdI->V0, isite, jsite);
298  }
299  /*
300  (9) Inter-Cell along L
301  */
302  StdFace_FindSite(StdI, iW, iL, iH, 0, 1, 0, 2, 0, &isite, &jsite, &Cphase, dR);
303 
304  if (strcmp(StdI->model, "spin") == 0) {
305  StdFace_GeneralJ(StdI, StdI->J1, StdI->S2, StdI->S2, isite, jsite);
306  }/*if (strcmp(StdI->model, "spin") == 0 )*/
307  else {
308  StdFace_Hopping(StdI, Cphase * StdI->t1, isite, jsite, dR);
309  StdFace_Coulomb(StdI, StdI->V1, isite, jsite);
310  }
311  /*
312  (10) Inter-Cell along H
313  */
314  StdFace_FindSite(StdI, iW, iL, iH, 0, 0, 1, 3, 0, &isite, &jsite, &Cphase, dR);
315 
316  if (strcmp(StdI->model, "spin") == 0) {
317  StdFace_GeneralJ(StdI, StdI->J2, StdI->S2, StdI->S2, isite, jsite);
318  }/*if (strcmp(StdI->model, "spin") == 0 )*/
319  else {
320  StdFace_Hopping(StdI, Cphase * StdI->t2, isite, jsite, dR);
321  StdFace_Coulomb(StdI, StdI->V2, isite, jsite);
322  }
323  /*
324  (11) Inter-Cell along L-H
325  */
326  StdFace_FindSite(StdI, iW, iL, iH, 0, -1, 1, 3, 2, &isite, &jsite, &Cphase, dR);
327 
328  if (strcmp(StdI->model, "spin") == 0) {
329  StdFace_GeneralJ(StdI, StdI->J0p, StdI->S2, StdI->S2, isite, jsite);
330  }/*if (strcmp(StdI->model, "spin") == 0 )*/
331  else {
332  StdFace_Hopping(StdI, Cphase * StdI->t0p, isite, jsite, dR);
333  StdFace_Coulomb(StdI, StdI->V0p, isite, jsite);
334  }
335  /*
336  (12) Intra-Cell along H-W
337  */
338  StdFace_FindSite(StdI, iW, iL, iH, 1, 0, -1, 1, 3, &isite, &jsite, &Cphase, dR);
339 
340  if (strcmp(StdI->model, "spin") == 0) {
341  StdFace_GeneralJ(StdI, StdI->J1p, StdI->S2, StdI->S2, isite, jsite);
342  }/*if (strcmp(StdI->model, "spin") == 0 )*/
343  else {
344  StdFace_Hopping(StdI, Cphase * StdI->t1p, isite, jsite, dR);
345  StdFace_Coulomb(StdI, StdI->V1p, isite, jsite);
346  }
347  /*
348  (13) Intra-Cell along W-L
349  */
350  StdFace_FindSite(StdI, iW, iL, iH, -1, 1, 0, 2, 1, &isite, &jsite, &Cphase, dR);
351 
352  if (strcmp(StdI->model, "spin") == 0) {
353  StdFace_GeneralJ(StdI, StdI->J2p, StdI->S2, StdI->S2, isite, jsite);
354  }/*if (strcmp(StdI->model, "spin") == 0 )*/
355  else {
356  StdFace_Hopping(StdI, Cphase * StdI->t2p, isite, jsite, dR);
357  StdFace_Coulomb(StdI, StdI->V2p, isite, jsite);
358  }
359  }/*for (kCell = 0; kCell < StdI->NCell; kCell++)*/
360 
361  fclose(fp);
362  StdFace_PrintXSF(StdI);
363  StdFace_PrintGeometry(StdI);
364 }/*void StdFace_Pyrochlore*/
StdFace_PrintVal_i
void StdFace_PrintVal_i(char *valname, int *val, int val0)
Print a valiable (integer) read from the input file if it is not specified in the input file (=214748...
Definition: StdFace_ModelUtil.c:473
StdIntList::V2
double V2
Anisotropic Coulomb potential (1st), input parameter.
Definition: StdFace_vals.h:78
StdIntList::t2p
double complex t2p
Anisotropic hopping (2nd), input parameter.
Definition: StdFace_vals.h:69
StdIntList::J
double J[3][3]
Isotropic, diagonal/off-diagonal spin coupling (1st Near.), input parameter Jx, Jy, Jz, Jxy, etc.
Definition: StdFace_vals.h:100
StdFace_GeneralJ
void StdFace_GeneralJ(struct StdIntList *StdI, double J[3][3], int Si2, int Sj2, int isite, int jsite)
Treat J as a 3*3 matrix [(6S + 1)*(6S&#39; + 1) interactions].
Definition: StdFace_ModelUtil.c:223
StdFace_HubbardLocal
void StdFace_HubbardLocal(struct StdIntList *StdI, double mu0, double h0, double Gamma0, double U0, int isite)
Add intra-Coulomb, magnetic field, chemical potential for the itenerant electron. ...
Definition: StdFace_ModelUtil.c:125
StdIntList::D
double D[3][3]
Coefficient for input parameter D. Only D[2][2] is used.
Definition: StdFace_vals.h:124
StdIntList::J1p
double J1p[3][3]
Isotropic, diagonal/off-diagonal spin coupling (2nd Near.), input parameter J1&#39;x, J1&#39;y...
Definition: StdFace_vals.h:113
StdFace_PrintGeometry
void StdFace_PrintGeometry(struct StdIntList *StdI)
Print geometry of sites for the pos-process of correlation function.
Definition: StdFace_ModelUtil.c:1157
StdIntList::J1
double J1[3][3]
Isotropic, diagonal/off-diagonal spin coupling (1st Near.), input parameter J1x, J1y, J1z, J1xy, etc. or set in StdFace_InputSpinNN().
Definition: StdFace_vals.h:110
StdIntList::J2p
double J2p[3][3]
Isotropic, diagonal/off-diagonal spin coupling (2nd Near.), input parameter J2&#39;x, J2&#39;y...
Definition: StdFace_vals.h:119
StdFace_Hopping
void StdFace_Hopping(struct StdIntList *StdI, double complex trans0, int isite, int jsite, double *dR)
Add Hopping for the both spin.
Definition: StdFace_ModelUtil.c:75
StdIntList::t
double complex t
Nearest-neighbor hopping, input parameter.
Definition: StdFace_vals.h:62
StdFace_MallocInteractions
void StdFace_MallocInteractions(struct StdIntList *StdI, int ntransMax, int nintrMax)
Malloc Arrays for interactions.
Definition: StdFace_ModelUtil.c:1198
StdIntList::JAll
double JAll
Isotropic, diagonal spin coupling (1st Near.), input parameter J.
Definition: StdFace_vals.h:82
StdIntList::S2
int S2
Total spin |S| of a local spin, input from file.
Definition: StdFace_vals.h:215
StdIntList::NsiteUC
int NsiteUC
Number of sites in the unit cell. Defined in the beginning of each lattice function.
Definition: StdFace_vals.h:53
StdIntList::J1All
double J1All
Anisotropic, diagonal spin coupling (1nd Near), input parameter J1.
Definition: StdFace_vals.h:90
StdFace_InputCoulombV
void StdFace_InputCoulombV(struct StdIntList *StdI, double *V0, char *V0name)
Input off-site Coulomb interaction from the input file, if it is not specified, use the default value...
Definition: StdFace_ModelUtil.c:1109
StdFace_InputHopp
void StdFace_InputHopp(struct StdIntList *StdI, double complex *t0, char *t0name)
Input hopping integral from the input file, if it is not specified, use the default value(0 or the is...
Definition: StdFace_ModelUtil.c:1134
StdIntList::V0p
double V0p
Anisotropic Coulomb potential (2nd), input parameter.
Definition: StdFace_vals.h:75
StdFace_InitSite
void StdFace_InitSite(struct StdIntList *StdI, FILE *fp, int dim)
Initialize the super-cell where simulation is performed.
Definition: StdFace_ModelUtil.c:632
StdIntList::V2p
double V2p
Anisotropic Coulomb potential (2nd), input parameter.
Definition: StdFace_vals.h:79
StdIntList::tpp
double complex tpp
3rd-nearest hopping, input parameter
Definition: StdFace_vals.h:70
StdIntList::model
char model[256]
Name of model, input parameter.
Definition: StdFace_vals.h:60
StdFace_NotUsed_J
void StdFace_NotUsed_J(char *valname, double JAll, double J[3][3])
Stop HPhi if variables (real) not used is specified in the input file (!=NaN).
Definition: StdFace_ModelUtil.c:526
StdIntList::Gamma
double Gamma
Transvars magnetic field, input parameter.
Definition: StdFace_vals.h:127
StdIntList::JppAll
double JppAll
Isotropic, diagonal spin coupling (3rd Near), input parameter J&#39;&#39;.
Definition: StdFace_vals.h:98
StdIntList::V1
double V1
Anisotropic Coulomb potential (1st), input parameter.
Definition: StdFace_vals.h:76
StdIntList::J0All
double J0All
Anisotropic, diagonal spin coupling (1nd Near), input parameter J0.
Definition: StdFace_vals.h:86
StdIntList::J0
double J0[3][3]
Isotropic, diagonal/off-diagonal spin coupling (1st Near.), input parameter J0x, J0y, J0z, J0xy, etc. or set in StdFace_InputSpinNN().
Definition: StdFace_vals.h:104
StdIntList::U
double U
On-site Coulomb potential, input parameter.
Definition: StdFace_vals.h:71
StdIntList::t0p
double complex t0p
Anisotropic hopping (2nd), input parameter.
Definition: StdFace_vals.h:65
StdIntList::Cell
int ** Cell
[StdIntList][3] The cell position in the fractional coordinate. Malloc and Set in StdFace_InitSite()...
Definition: StdFace_vals.h:51
StdIntList::phase
double phase[3]
Boundary phase, input parameter phase0, etc.
Definition: StdFace_vals.h:133
StdIntList::J0pAll
double J0pAll
Anisotropic, diagonal spin coupling (2nd Near), input parameter J0&#39;.
Definition: StdFace_vals.h:88
StdIntList::length
double length[3]
Anisotropic lattice constant, input parameter wlength, llength, hlength.
Definition: StdFace_vals.h:37
StdIntList::locspinflag
int * locspinflag
[StdIntList::nsite] LocSpin in Expert mode, malloc and set in each lattice file.
Definition: StdFace_vals.h:141
StdIntList::tp
double complex tp
2nd-nearest hopping, input parameter
Definition: StdFace_vals.h:63
StdIntList::Jpp
double Jpp[3][3]
Isotropic, diagonal/off-diagonal spin coupling (3rd Near.), input parameter J&#39;&#39;x, J&#39;&#39;y...
Definition: StdFace_vals.h:122
StdIntList::t1
double complex t1
Anisotropic hopping (1st), input parameter.
Definition: StdFace_vals.h:66
StdIntList::V
double V
Off-site Coulomb potential (1st), input parameter.
Definition: StdFace_vals.h:72
StdIntList::t0
double complex t0
Anisotropic hopping (1st), input parameter.
Definition: StdFace_vals.h:64
StdIntList::direct
double direct[3][3]
The unit direct lattice vector. Set in StdFace_InitSite().
Definition: StdFace_vals.h:42
StdFace_MagField
void StdFace_MagField(struct StdIntList *StdI, int S2, double h, double Gamma, int isite)
Add longitudinal and transvars magnetic field to the list.
Definition: StdFace_ModelUtil.c:151
StdFace_NotUsed_d
void StdFace_NotUsed_d(char *valname, double val)
Stop HPhi if a variable (real) not used is specified in the input file (!=NaN).
Definition: StdFace_ModelUtil.c:492
StdIntList::V0
double V0
Anisotropic Coulomb potential (1st), input parameter.
Definition: StdFace_vals.h:74
StdFace_Coulomb
void StdFace_Coulomb(struct StdIntList *StdI, double V, int isite, int jsite)
Add onsite/offsite Coulomb term to the list StdIntList::Cinter and StdIntList::CinterIndx, and increase the number of them (StdIntList::NCinter).
Definition: StdFace_ModelUtil.c:396
StdFace_InputSpin
void StdFace_InputSpin(struct StdIntList *StdI, double Jp[3][3], double JpAll, char *Jpname)
Input spin-spin interaction other than nearest-neighbor.
Definition: StdFace_ModelUtil.c:1060
StdIntList::t1p
double complex t1p
Anisotropic hopping (2nd), input parameter.
Definition: StdFace_vals.h:67
StdIntList::t2
double complex t2
Anisotropic hopping (1st), input parameter.
Definition: StdFace_vals.h:68
StdIntList::mu
double mu
Chemical potential, input parameter.
Definition: StdFace_vals.h:61
StdFace_PrintVal_d
void StdFace_PrintVal_d(char *valname, double *val, double val0)
Print a valiable (real) read from the input file if it is not specified in the input file (=NaN)...
Definition: StdFace_ModelUtil.c:414
StdFace_InputSpinNN
void StdFace_InputSpinNN(struct StdIntList *StdI, double J0[3][3], double J0All, char *J0name)
Input nearest-neighbor spin-spin interaction.
Definition: StdFace_ModelUtil.c:973
StdIntList::NCell
int NCell
The number of the unit cell in the super-cell (determinant of StdIntList::box). Set in StdFace_InitSi...
Definition: StdFace_vals.h:49
StdIntList::Vp
double Vp
Off-site Coulomb potential (2nd), input parameter.
Definition: StdFace_vals.h:73
StdIntList::J1pAll
double J1pAll
Anisotropic, diagonal spin coupling (2nd Near), input parameter J1&#39;.
Definition: StdFace_vals.h:92
StdFace_NotUsed_c
void StdFace_NotUsed_c(char *valname, double complex val)
Stop HPhi if a variable (complex) not used is specified in the input file (!=NaN).
Definition: StdFace_ModelUtil.c:509
StdIntList::nsite
int nsite
Number of sites, set in the each lattice file.
Definition: StdFace_vals.h:140
StdIntList::J2All
double J2All
Anisotropic, diagonal spin coupling (1nd Near), input parameter J2.
Definition: StdFace_vals.h:94
StdFace_vals.h
Variables used in the Standard mode. These variables are passed as a pointer of the structure(StdIntL...
StdFace_NotUsed_i
void StdFace_NotUsed_i(char *valname, int val)
Stop HPhi if a variable (integer) not used is specified in the input file (!=2147483647, the upper limt of Int).
Definition: StdFace_ModelUtil.c:558
StdFace_PrintXSF
void StdFace_PrintXSF(struct StdIntList *StdI)
Print lattice.xsf (XCrysDen format)
Definition: StdFace_ModelUtil.c:938
StdIntList::h
double h
Longitudinal magnetic field, input parameter.
Definition: StdFace_vals.h:126
StdIntList::a
double a
The lattice constant. Input parameter.
Definition: StdFace_vals.h:36
StdFace_Pyrochlore
void StdFace_Pyrochlore(struct StdIntList *StdI)
Setup a Hamiltonian for the Pyrochlore structure.
Definition: Pyrochlore.c:33
StdFace_FindSite
void StdFace_FindSite(struct StdIntList *StdI, int iW, int iL, int iH, int diW, int diL, int diH, int isiteUC, int jsiteUC, int *isite, int *jsite, double complex *Cphase, double *dR)
Find the index of transfer and interaction.
Definition: StdFace_ModelUtil.c:823
StdIntList::J2
double J2[3][3]
Isotropic, diagonal/off-diagonal spin coupling (1st Near.), input parameter J2x, J2y, J2z, J2xy, etc. or set in StdFace_InputSpinNN().
Definition: StdFace_vals.h:116
StdIntList::J2pAll
double J2pAll
Anisotropic, diagonal spin coupling (2nd Near), input parameter J2&#39;.
Definition: StdFace_vals.h:96
StdIntList::tau
double ** tau
Cell-internal site position in the fractional coordinate. Defined in the beginning of each lattice fu...
Definition: StdFace_vals.h:55
StdIntList::J0p
double J0p[3][3]
Isotropic, diagonal/off-diagonal spin coupling (2nd Near.), input parameter J0&#39;x, J0&#39;y...
Definition: StdFace_vals.h:107
StdIntList::V1p
double V1p
Anisotropic Coulomb potential (2nd), input parameter.
Definition: StdFace_vals.h:77
StdIntList::K
double K
4-spin term. Not used.
Definition: StdFace_vals.h:128