Home
last modified time | relevance | path

Searched refs:knum_i (Results 1 – 11 of 11) sorted by relevance

/dports/science/openmx/openmx3.8/source/
H A DBand_DFT_Dosout.c352 snum_i = knum_i; in Band_DFT_DosoutGauss_Col()
358 for (i=0; i<knum_i; i++){ in Band_DFT_DosoutGauss_Col()
1219 ii = i%knum_i; in Band_DFT_DosoutGauss_Col()
1692 snum_i = knum_i; in Band_DFT_DosoutGauss_NonCol()
1696 for (i=0; i<knum_i; i++){ in Band_DFT_DosoutGauss_NonCol()
2583 for (i=0; i<=knum_i; i++){ in Band_DFT_DosoutGauss_NonCol()
2584 ii = i%knum_i; in Band_DFT_DosoutGauss_NonCol()
3000 snum_i = knum_i; in Band_DFT_Dosout_Col()
3005 for (i=0; i<knum_i; i++){ in Band_DFT_Dosout_Col()
4468 snum_i = knum_i; in Band_DFT_Dosout_NonCol()
[all …]
H A Djx.c96 static int knum_i,knum_j,knum_k; in main() local
198 knum_i=Nk[1]; in main()
256 for (i=0;i<knum_i; i++) { in main()
269 snum_i = (double)knum_i; in main()
273 for (i=0; i<=(knum_i-1); i++){ in main()
274 if (knum_i==1) k1 = 0.0; in main()
312 for (i=0;i<=knum_i-1;i++) { in main()
319 for (i=0;i<=knum_i-1;i++) { in main()
347 for (i=0; i<=(knum_i-1); i++){ in main()
595 for (i=0; i<=(knum_i-1); i++){ in main()
[all …]
H A DDosMain.c38 int knum_i,int knum_j, int knum_k,
59 int knum_i,int knum_j, int knum_k,
67 int knum_i, int knum_j, int knum_k,
82 int knum_i,int knum_j, int knum_k,
361 int knum_i,int knum_j, int knum_k, in Dos_Histgram() argument
410 for (i=0; i<=(knum_i-1); i++){ in Dos_Histgram()
461 int knum_i,int knum_j, int knum_k, in Dos_Gaussian() argument
530 for (i=0; i<=(knum_i-1); i++){ in Dos_Gaussian()
1035 for (i=0; i<=(knum_i-1); i++){ in Dos_Tetrahedron()
1232 for (i=0; i<=(knum_i-1); i++){ in Spectra_Gaussian()
[all …]
H A DGenerating_MP_Special_Kpt.c88 int knum_i, int knum_j, int knum_k in Generating_MP_Special_Kpt() argument
297 knum_i,knum_j,knum_k, in Generating_MP_Special_Kpt()
1110 tmpWeight=(int*)malloc(sizeof(int)*(8*knum_i*knum_j*knum_k)); in MP_Special_Kpt()
1112 for(i=0;i<(8*knum_i*knum_j*knum_k);i++){ in MP_Special_Kpt()
1158 klatt[i][0]=rlatt[i][0]/knum_i; in MP_Special_Kpt()
1205 rlatt[i][0]=rlatt[i][0]/knum_i; in MP_Special_Kpt()
1222 shift[0]=shift[0]+0.5*fmod((double)(knum_i+1),2.0); in MP_Special_Kpt()
4116 for(i=0;i<(8*knum_i*knum_j*knum_k);i++){ in Generate_MP_Special_Kpt()
4124 for(s=0;s<knum_i;s++){ in Generate_MP_Special_Kpt()
4126 ktmp[0][0]=((double)s+shift[0])/(double)knum_i; in Generate_MP_Special_Kpt()
[all …]
H A DBand_DFT_Col.c33 int knum_i, int knum_j, int knum_k, in Band_DFT_Col() argument
282 for (i=0;i<=knum_i-1;i++) { in Band_DFT_Col()
290 for (i=0;i<=knum_i-1;i++) { in Band_DFT_Col()
294 k_inversion(i,j,k,knum_i,knum_j,knum_k,&ii,&ij,&ik); in Band_DFT_Col()
313 for (i=0; i<=(knum_i-1); i++){ in Band_DFT_Col()
326 for (i=0; i<knum_i; i++){ in Band_DFT_Col()
328 if (knum_i==1) k1 = 0.0; in Band_DFT_Col()
329 else k1 = -0.5 + (2.0*(double)i+1.0)/(2.0*(double)knum_i) + Shift_K_Point; in Band_DFT_Col()
357 for (i=0;i<=knum_i-1;i++){ in Band_DFT_Col()
358 if (knum_i==1) k1 = 0.0; in Band_DFT_Col()
[all …]
H A DBand_DFT_Col_ScaLAPACK.c34 int knum_i, int knum_j, int knum_k, in Band_DFT_Col_ScaLAPACK() argument
87 int knum_i, int knum_j, int knum_k, in Band_DFT_Col_ScaLAPACK() argument
355 for (i=0;i<=knum_i-1;i++) { in Band_DFT_Col_ScaLAPACK()
363 for (i=0;i<=knum_i-1;i++) { in Band_DFT_Col_ScaLAPACK()
367 k_inversion(i,j,k,knum_i,knum_j,knum_k,&ii,&ij,&ik); in Band_DFT_Col_ScaLAPACK()
386 for (i=0; i<=(knum_i-1); i++){ in Band_DFT_Col_ScaLAPACK()
399 for (i=0; i<knum_i; i++){ in Band_DFT_Col_ScaLAPACK()
401 if (knum_i==1) k1 = 0.0; in Band_DFT_Col_ScaLAPACK()
430 for (i=0;i<=knum_i-1;i++){ in Band_DFT_Col_ScaLAPACK()
431 if (knum_i==1) k1 = 0.0; in Band_DFT_Col_ScaLAPACK()
[all …]
H A DBand_DFT_NonCol.c249 k_op=(int***)malloc(sizeof(int**)*knum_i); in Band_DFT_NonCol()
250 for (i=0;i<knum_i; i++) { in Band_DFT_NonCol()
288 sizeof(int)*knum_i*knum_j*knum_k,NULL); in Band_DFT_NonCol()
300 snum_i = (double)knum_i; in Band_DFT_NonCol()
304 for (i=0; i<knum_i; i++){ in Band_DFT_NonCol()
305 if (knum_i==1){ in Band_DFT_NonCol()
355 for (i=0; i<knum_i; i++) { in Band_DFT_NonCol()
363 for (i=0;i<=knum_i-1;i++) { in Band_DFT_NonCol()
397 for (i=0; i<knum_i; i++){ in Band_DFT_NonCol()
424 for (i=0; i<=(knum_i-1); i++){ in Band_DFT_NonCol()
[all …]
H A Dopenmx_common.h2958 int knum_i, int knum_j, int knum_k,
2968 int knum_i, int knum_j, int knum_k,
3014 int knum_i, int knum_j, int knum_k,
3072 double Band_DFT_Dosout( int knum_i, int knum_j, int knum_k,
3175 int knum_i, int knum_j, int knum_k
H A DTRAN_DFT_NC.c37 int knum_i, int knum_j, int knum_k,
216 int knum_i, knum_j, knum_k; in TRAN_DFT_NC() local
218 knum_i = 1; in TRAN_DFT_NC()
222 time5 = Band_DFT_NonCol(iter, koS, S, knum_i, knum_j, knum_k, SpinP_switch, in TRAN_DFT_NC()
H A DGenerate_Wannier.c170 int knum_i, int knum_j, int knum_k,
1556 kpt_num=knum_i*knum_j*knum_k; in Wannier()
1569 for(i=knum_i;i>=1;i--){ in Wannier()
1572 kg[kpt_num][0]=(double)(knum_i-i)/(double)knum_i+1E-12; in Wannier()
1601 klatt[0][0]=rtv[1][1]/(double)knum_i; in Wannier()
1602 klatt[0][1]=rtv[1][2]/(double)knum_i; in Wannier()
1603 klatt[0][2]=rtv[1][3]/(double)knum_i; in Wannier()
9315 *r_num=(knum_i)*(knum_j)*(knum_k); in Wigner_Seitz_Vectors()
9321 for(n1=0;n1<knum_i;n1++){ in Wigner_Seitz_Vectors()
9336 for(n1=-knum_i;n1<knum_i+1;n1++){ in Wigner_Seitz_Vectors()
[all …]
H A DTRAN_DFT.c33 int knum_i, int knum_j, int knum_k,