22 #include "StdFace_ModelUtil.h" 37 int isite, jsite, isiteUC, kCell, ntransMax, nintrMax;
40 double complex Cphase;
46 fp = fopen(
"lattice.gp",
"w");
50 fprintf(stdout,
" @ Lattice Size & Shape\n\n");
64 StdI->
tau[0][0] = 0.0; StdI->
tau[0][1] = 0.0; StdI->
tau[0][2] = 0.0;
65 StdI->
tau[1][0] = 0.5; StdI->
tau[1][1] = 0.0; StdI->
tau[1][2] = 0.0;
66 StdI->
tau[2][0] = 0.0; StdI->
tau[2][1] = 0.5; StdI->
tau[2][2] = 0.0;
70 fprintf(stdout,
"\n @ Hamiltonian \n\n");
76 if (strcmp(StdI->
model,
"spin") == 0 ) {
131 if (strcmp(StdI->
model,
"hubbard") == 0 ) {
141 fprintf(stdout,
"\n @ Numerical conditions\n\n");
147 if (strcmp(StdI->
model,
"kondo") == 0 ) StdI->
nsite *= 2;
150 if (strcmp(StdI->
model,
"spin") == 0 )
152 else if (strcmp(StdI->
model,
"hubbard") == 0 )
155 for (iL = 0; iL < StdI->
nsite / 2; iL++) {
162 if (strcmp(StdI->
model,
"spin") == 0 ) {
163 ntransMax = StdI->
nsite * (StdI->
S2 + 1 + 2 * StdI->
S2);
165 * (3 * StdI->
S2 + 1) * (3 * StdI->
S2 + 1);
168 ntransMax = StdI->
NCell * 2 * (2 * StdI->
NsiteUC + 12 + 12);
171 if (strcmp(StdI->
model,
"kondo") == 0) {
172 ntransMax += StdI->
nsite / 2 * (StdI->
S2 + 1 + 2 * StdI->
S2);
173 nintrMax += StdI->
nsite / 2 * (3 * StdI->
S2 + 1) * (3 * StdI->
S2 + 1);
181 for (kCell = 0; kCell < StdI->
NCell; kCell++) {
183 iW = StdI->
Cell[kCell][0];
184 iL = StdI->
Cell[kCell][1];
189 if (strcmp(StdI->
model,
"kondo") == 0 ) isite += StdI->
nsite / 2;
191 if (strcmp(StdI->
model,
"spin") == 0 ) {
192 for (isiteUC = 0; isiteUC < StdI->
NsiteUC; isiteUC++) {
198 for (isiteUC = 0; isiteUC < StdI->
NsiteUC; isiteUC++)
201 if (strcmp(StdI->
model,
"kondo") == 0 ) {
203 for (isiteUC = 0; isiteUC < StdI->
NsiteUC; isiteUC++) {
212 StdFace_SetLabel(StdI, fp, iW, iL, 0, 0, 0, 1, &isite, &jsite, 1, &Cphase, dR);
214 if (strcmp(StdI->
model,
"spin") == 0 ) {
224 StdFace_SetLabel(StdI, fp, iW, iL, 0, 0, 0, 2, &isite, &jsite, 1, &Cphase, dR);
226 if (strcmp(StdI->
model,
"spin") == 0 ) {
236 StdFace_SetLabel(StdI, fp, iW, iL, 0, 0, 1, 2, &isite, &jsite, 1, &Cphase, dR);
238 if (strcmp(StdI->
model,
"spin") == 0 ) {
248 StdFace_SetLabel(StdI, fp, iW, iL, 1, 0, 1, 0, &isite, &jsite, 1, &Cphase, dR);
250 if (strcmp(StdI->
model,
"spin") == 0 ) {
260 StdFace_SetLabel(StdI, fp, iW, iL, 0, 1, 2, 0, &isite, &jsite, 1, &Cphase, dR);
262 if (strcmp(StdI->
model,
"spin") == 0 ) {
272 StdFace_SetLabel(StdI, fp, iW, iL, 1, - 1, 1, 2, &isite, &jsite, 1, &Cphase, dR);
274 if (strcmp(StdI->
model,
"spin") == 0 ) {
284 StdFace_SetLabel(StdI, fp, iW, iL, 1, 0, 2, 0, &isite, &jsite, 2, &Cphase, dR);
286 if (strcmp(StdI->
model,
"spin") == 0 ) {
296 StdFace_SetLabel(StdI, fp, iW, iL, 1, 0, 1, 2, &isite, &jsite, 2, &Cphase, dR);
298 if (strcmp(StdI->
model,
"spin") == 0 ) {
308 StdFace_SetLabel(StdI, fp, iW, iL, 0, 1, 1, 0, &isite, &jsite, 2, &Cphase, dR);
310 if (strcmp(StdI->
model,
"spin") == 0 ) {
320 StdFace_SetLabel(StdI, fp, iW, iL, 0, 1, 2, 1, &isite, &jsite, 2, &Cphase, dR);
322 if (strcmp(StdI->
model,
"spin") == 0 ) {
332 StdFace_SetLabel(StdI, fp, iW, iL, 1, - 1, 0, 2, &isite, &jsite, 2, &Cphase, dR);
334 if (strcmp(StdI->
model,
"spin") == 0 ) {
344 StdFace_SetLabel(StdI, fp, iW, iL, - 1, 1, 0, 1, &isite, &jsite, 2, &Cphase, dR);
346 if (strcmp(StdI->
model,
"spin") == 0 ) {
355 fprintf(fp,
"plot \'-\' w d lc 7\n0.0 0.0\nend\npause -1\n");
369 int isite, ipivot, i1, i2;
373 if (StdI->
box[0][1] != 0 || StdI->
box[1][0] != 0) {
374 fprintf(stdout,
"\nERROR ! (a0W, a0L, a1W, a1L) can not be used with SpinGCBoost.\n\n");
377 for (i1 = 0; i1 < 3; i1++) {
378 for (i2 = 0; i2 < 3; i2++) {
379 if (fabs(StdI->
Jp[i1][i2]) > 1.0e-8) {
380 fprintf(stdout,
"\nERROR ! J' can not be used with SpinGCBoost.\n\n");
388 fp = fopen(
"boost.def",
"w");
389 fprintf(fp,
"# Magnetic field\n");
390 fprintf(fp,
"%25.15e %25.15e %25.15e\n",
391 -0.5 * StdI->
Gamma, 0.0, -0.5 * StdI->
h);
395 fprintf(fp,
"%d # Number of type of J\n", 3);
396 fprintf(fp,
"# J 0\n");
397 fprintf(fp,
"%25.15e %25.15e %25.15e\n",
398 0.25 * StdI->
J0[0][0], 0.25 * StdI->
J0[0][1], 0.25 * StdI->
J0[0][2]);
399 fprintf(fp,
"%25.15e %25.15e %25.15e\n",
400 0.25 * StdI->
J0[0][1], 0.25 * StdI->
J0[1][1], 0.25 * StdI->
J0[1][2]);
401 fprintf(fp,
"%25.15e %25.15e %25.15e\n",
402 0.25 * StdI->
J0[0][2], 0.25 * StdI->
J0[1][2], 0.25 * StdI->
J0[2][2]);
403 fprintf(fp,
"# J 1\n");
404 fprintf(fp,
"%25.15e %25.15e %25.15e\n",
405 0.25 * StdI->
J1[0][0], 0.25 * StdI->
J1[0][1], 0.25 * StdI->
J1[0][2]);
406 fprintf(fp,
"%25.15e %25.15e %25.15e\n",
407 0.25 * StdI->
J1[0][1], 0.25 * StdI->
J1[1][1], 0.25 * StdI->
J1[1][2]);
408 fprintf(fp,
"%25.15e %25.15e %25.15e\n",
409 0.25 * StdI->
J1[0][2], 0.25 * StdI->
J1[1][2], 0.25 * StdI->
J1[2][2]);
410 fprintf(fp,
"# J 2\n");
411 fprintf(fp,
"%25.15e %25.15e %25.15e\n",
412 0.25 * StdI->
J2[0][0], 0.25 * StdI->
J2[0][1], 0.25 * StdI->
J2[0][2]);
413 fprintf(fp,
"%25.15e %25.15e %25.15e\n",
414 0.25 * StdI->
J2[0][1], 0.25 * StdI->
J2[1][1], 0.25 * StdI->
J2[1][2]);
415 fprintf(fp,
"%25.15e %25.15e %25.15e\n",
416 0.25 * StdI->
J2[0][2], 0.25 * StdI->
J2[1][2], 0.25 * StdI->
J2[2][2]);
420 fprintf(stdout,
"\n ERROR! S2 must be 1 in Boost. \n\n");
425 fprintf(stdout,
"\n ERROR! L < 2 \n\n");
429 fprintf(stdout,
"\n ERROR! W %% %d != 0 \n\n", StdI->
ishift_nspin);
434 fprintf(stdout,
"DEBUG: W != 3\n");
438 fprintf(fp,
"# W0 R0 StdI->num_pivot StdI->ishift_nspin\n");
442 for (ipivot = 0; ipivot < StdI->
num_pivot; ipivot++) {
478 fprintf(fp,
"# StdI->list_6spin_star\n");
479 for (ipivot = 0; ipivot < StdI->
num_pivot; ipivot++) {
480 fprintf(fp,
"# pivot %d\n", ipivot);
481 for (isite = 0; isite < 7; isite++) {
488 for (ipivot = 0; ipivot < StdI->
num_pivot; ipivot++) {
490 for (isite = 0; isite < 7; isite++) {
625 fprintf(fp,
"# StdI->list_6spin_pair\n");
626 for (ipivot = 0; ipivot < StdI->
num_pivot; ipivot++) {
627 fprintf(fp,
"# pivot %d\n", ipivot);
629 for (isite = 0; isite < 7; isite++) {
637 for (ipivot = 0; ipivot < StdI->
num_pivot; ipivot++) {
642 for (ipivot = 0; ipivot < StdI->
num_pivot; ipivot++) {
643 for (isite = 0; isite < 7; isite++) {
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...
double V2
Anisotropic Coulomb potential (1st), input parameter.
double Jp[3][3]
Isotropic, diagonal/off-diagonal spin coupling (2nd Near.), input parameter J'x, J'y, J'z, J'xy, etc.
int box[3][3]
The shape of the super-cell. Input parameter a0W, a0L, a0H, etc. or defined from StdIntList::W, etc. in StdFace_InitSite().
double complex t2p
Anisotropic hopping (2nd), input parameter.
double J[3][3]
Isotropic, diagonal/off-diagonal spin coupling (1st Near.), input parameter Jx, Jy, Jz, Jxy, etc.
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' + 1) interactions].
int L
Number of sites along the 2nd axis, input parameter.
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. ...
double D[3][3]
Coefficient for input parameter D. Only D[2][2] is used.
double J1p[3][3]
Isotropic, diagonal/off-diagonal spin coupling (2nd Near.), input parameter J1'x, J1'y...
void StdFace_PrintGeometry(struct StdIntList *StdI)
Print geometry of sites for the pos-process of correlation function.
double JpAll
Isotropic, diagonal spin coupling (2nd Near), input parameter Jp.
void StdFace_InputHopp(double complex t, 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...
double J1[3][3]
Isotropic, diagonal/off-diagonal spin coupling (1st Near.), input parameter J1x, J1y, J1z, J1xy, etc. or set in StdFace_InputSpinNN().
double J2p[3][3]
Isotropic, diagonal/off-diagonal spin coupling (2nd Near.), input parameter J2'x, J2'y...
void StdFace_Hopping(struct StdIntList *StdI, double complex trans0, int isite, int jsite, double *dR)
Add Hopping for the both spin.
double complex t
Nearest-neighbor hopping, input parameter.
void StdFace_MallocInteractions(struct StdIntList *StdI, int ntransMax, int nintrMax)
Malloc Arrays for interactions.
double JAll
Isotropic, diagonal spin coupling (1st Near.), input parameter J.
int S2
Total spin |S| of a local spin, input from file.
int NsiteUC
Number of sites in the unit cell. Defined in the beginning of each lattice function.
void StdFace_InputSpin(double Jp[3][3], double JpAll, char *Jpname)
Input spin-spin interaction other than nearest-neighbor.
double J1All
Anisotropic, diagonal spin coupling (1st Near), input parameter J1.
double V0p
Anisotropic Coulomb potential (2nd), input parameter.
void StdFace_InitSite(struct StdIntList *StdI, FILE *fp, int dim)
Initialize the super-cell where simulation is performed.
int W
Number of sites along the 1st axis, input parameter.
double V2p
Anisotropic Coulomb potential (2nd), input parameter.
char model[256]
Name of model, input parameter.
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).
double Gamma
Transvars magnetic field, input parameter.
double V1
Anisotropic Coulomb potential (1st), input parameter.
double J0All
Anisotropic, diagonal spin coupling (1st Near), input parameter 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().
double U
On-site Coulomb potential, input parameter.
double complex t0p
Anisotropic hopping (2nd), input parameter.
int ** Cell
[StdIntList][3] The cell position in the fractional coordinate. Malloc and Set in StdFace_InitSite()...
double phase[3]
Boundary phase, input parameter phase0, etc.
double J0pAll
Anisotropic, diagonal spin coupling (2nd Near), input parameter J0'.
double length[3]
Anisotropic lattice constant, input parameter wlength, llength, hlength.
int * locspinflag
[StdIntList::nsite] LocSpin in Expert mode, malloc and set in each lattice file.
double complex tp
2nd-nearest hopping, input parameter
double complex t1
Anisotropic hopping (1st), input parameter.
double V
Off-site Coulomb potential (1st), input parameter.
double complex t0
Anisotropic hopping (1st), input parameter.
double direct[3][3]
The unit direct lattice vector. Set in StdFace_InitSite().
void StdFace_MagField(struct StdIntList *StdI, int S2, double h, double Gamma, int isite)
Add longitudinal and transvars magnetic field to the list.
void StdFace_NotUsed_d(char *valname, double val)
Stop HPhi if a variable (real) not used is specified in the input file (!=NaN).
double V0
Anisotropic Coulomb potential (1st), input parameter.
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).
void StdFace_InputCoulombV(double V, double *V0, char *V0name)
Input off-site Coulomb interaction from the input file, if it is not specified, use the default value...
void StdFace_Kagome_Boost(struct StdIntList *StdI)
void StdFace_SetLabel(struct StdIntList *StdI, FILE *fp, int iW, int iL, int diW, int diL, int isiteUC, int jsiteUC, int *isite, int *jsite, int connect, double complex *Cphase, double *dR)
Set Label in the gnuplot display (Only used in 2D system)
double complex t1p
Anisotropic hopping (2nd), input parameter.
void StdFace_Kagome(struct StdIntList *StdI)
Setup a Hamiltonian for the Kagome lattice.
double complex t2
Anisotropic hopping (1st), input parameter.
double mu
Chemical potential, input parameter.
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)...
int NCell
The number of the unit cell in the super-cell (determinant of StdIntList::box). Set in StdFace_InitSi...
double Vp
Off-site Coulomb potential (2nd), input parameter.
double J1pAll
Anisotropic, diagonal spin coupling (2nd Near), input parameter J1'.
void StdFace_NotUsed_c(char *valname, double complex val)
Stop HPhi if a variable (complex) not used is specified in the input file (!=NaN).
int nsite
Number of sites, set in the each lattice file.
double J2All
Anisotropic, diagonal spin coupling (1st Near), input parameter J2.
Variables used in the Standard mode. These variables are passed as a pointer of the structure(StdIntL...
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).
double h
Longitudinal magnetic field, input parameter.
double a
The lattice constant. Input parameter.
double J2[3][3]
Isotropic, diagonal/off-diagonal spin coupling (1st Near.), input parameter J2x, J2y, J2z, J2xy, etc. or set in StdFace_InputSpinNN().
double J2pAll
Anisotropic, diagonal spin coupling (2nd Near), input parameter J2'.
double ** tau
Cell-internal site position in the fractional coordinate. Defined in the beginning of each lattice fu...
double J0p[3][3]
Isotropic, diagonal/off-diagonal spin coupling (2nd Near.), input parameter J0'x, J0'y...
void StdFace_exit(int errorcode)
MPI Abortation wrapper.
void StdFace_InputSpinNN(double J[3][3], double JAll, double J0[3][3], double J0All, char *J0name)
Input nearest-neighbor spin-spin interaction.
double V1p
Anisotropic Coulomb potential (2nd), input parameter.
double K
4-spin term. Not used.