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Searched refs:itetra (Results 1 – 13 of 13) sorted by relevance

/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/structure/
H A Dband_structure.F1443 integer itetra(4,6)
1753 integer itetra(4,6) local
1833 integer itetra(4,6) local
1938 integer itetra(4,6)
2223 integer itetra(4,6) local
2257 wcube(itetra(1,k)) = wcube(itetra(1,k)) + 0.25d0*ds
2258 wcube(itetra(2,k)) = wcube(itetra(2,k)) + 0.25d0*ds
2259 wcube(itetra(3,k)) = wcube(itetra(3,k)) + 0.25d0*ds
2260 wcube(itetra(4,k)) = wcube(itetra(4,k)) + 0.25d0*ds
2293 integer itetra(4,6)
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/structure/
H A Dband_structure.F1388 integer itetra(4,6)
1698 integer itetra(4,6) local
1778 integer itetra(4,6) local
1883 integer itetra(4,6)
2168 integer itetra(4,6) local
2202 wcube(itetra(1,k)) = wcube(itetra(1,k)) + 0.25d0*ds
2203 wcube(itetra(2,k)) = wcube(itetra(2,k)) + 0.25d0*ds
2204 wcube(itetra(3,k)) = wcube(itetra(3,k)) + 0.25d0*ds
2205 wcube(itetra(4,k)) = wcube(itetra(4,k)) + 0.25d0*ds
2238 integer itetra(4,6)
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/dports/science/quantum-espresso/q-e-qe-6.7.0/LR_Modules/
H A Ddfpt_tetra_mod.f901549 w(itetra(3)) = w(itetra(4))
1550 w(itetra(2)) = w(itetra(4))
1551 w(itetra(1)) = w(itetra(4))
1558 w(itetra(3)) = w(itetra(4))
1574 w(itetra(3)) = w(itetra(4))
1576 w(itetra(1)) = w(itetra(2))
1589 w(itetra(3)) = w(itetra(4))
1607 w(itetra(2)) = w(itetra(3))
1608 w(itetra(1)) = w(itetra(3))
1622 w(itetra(2)) = w(itetra(3))
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/vib/
H A Dvib_phonon.F1378 integer itetra(4,6)
1513 itetra(1,1) = 0 +1
1514 itetra(2,1) = 7 +1
1515 itetra(3,1) = 1 +1
1516 itetra(4,1) = 3 +1
1518 itetra(1,2) = 0 +1
1519 itetra(2,2) = 7 +1
1520 itetra(3,2) = 1 +1
1521 itetra(4,2) = 5 +1
1694 integer itetra(4,6) local
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/vib/
H A Dvib_phonon.F1377 integer itetra(4,6)
1512 itetra(1,1) = 0 +1
1513 itetra(2,1) = 7 +1
1514 itetra(3,1) = 1 +1
1515 itetra(4,1) = 3 +1
1517 itetra(1,2) = 0 +1
1518 itetra(2,2) = 7 +1
1519 itetra(3,2) = 1 +1
1520 itetra(4,2) = 5 +1
1693 integer itetra(4,6) local
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/
H A Delph_tetra_mod.f90332 itetra(1) = 0
459 itetra(1) = 0
1035 itetra(1) = 0
1069 w(1:3*nat,ibnd,itetra(1:4)) = w(1:3*nat,ibnd,itetra(1:4)) &
1089 w(1:3*nat,ibnd,itetra(1:4)) = w(1:3*nat,ibnd,itetra(1:4)) &
1109 w(1:3*nat,ibnd,itetra(1:4)) = w(1:3*nat,ibnd,itetra(1:4)) &
1131 w(1:3*nat,ibnd,itetra(1:4)) = w(1:3*nat,ibnd,itetra(1:4)) &
1151 w(1:3*nat,ibnd,itetra(1:4)) = w(1:3*nat,ibnd,itetra(1:4)) &
1171 w(1:3*nat,ibnd,itetra(1:4)) = w(1:3*nat,ibnd,itetra(1:4)) &
1193 w(1:3*nat,ibnd,itetra(1:4)) = w(1:3*nat,ibnd,itetra(1:4)) &
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H A Dalpha2f.f90318 INTEGER :: ii, itetra, iq, fo local
324 DO itetra = 1, ntetra
326 wq(tetra(ii, itetra)) = wq(tetra(ii, itetra)) + SUM(0.25_dp * wlsm(1:4,ii))
H A Dmatdyn.f902385 integer :: ik, ibnd, nt, nk, ns, i, ik1, ik2, ik3, ik4, itetra(4) local
2407 itetra(1) = 0
2408 call hpsort (4,etetra,itetra)
2419 ik1 = tetra(itetra(1),nt)
2420 ik2 = tetra(itetra(2),nt)
2421 ik3 = tetra(itetra(3),nt)
2422 ik4 = tetra(itetra(4),nt)
/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/
H A Dtetra.f90661 itetra (1) = 0
673 kp1 = tetra(itetra(1), nt) + nk
674 kp2 = tetra(itetra(2), nt) + nk
675 kp3 = tetra(itetra(3), nt) + nk
676 kp4 = tetra(itetra(4), nt) + nk
907 itetra(1) = 0
908 CALL hpsort( 4, e, itetra )
1056 itetra(1) = 0
1057 CALL hpsort(4, etetra, itetra)
1142 itetra (1) = 0
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/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/simple_ip/
H A Dtetra_mod2.f90215 integer :: ik, ibnd, nt, nk, ns, i, kp1, kp2, kp3, kp4, itetra (4) local
227 itetra (1) = 0
228 call hpsort1 (4, etetra, itetra)
239 kp1 = tetra (itetra (1), nt)
240 kp2 = tetra (itetra (2), nt)
241 kp3 = tetra (itetra (3), nt)
242 kp4 = tetra (itetra (4), nt)
H A Dtetra_mod1.f90215 integer :: ik, ibnd, nt, nk, ns, i, kp1, kp2, kp3, kp4, itetra (4) local
227 itetra (1) = 0
228 call hpsort1 (4, etetra, itetra)
239 kp1 = tetra (itetra (1), nt)
240 kp2 = tetra (itetra (2), nt)
241 kp3 = tetra (itetra (3), nt)
242 kp4 = tetra (itetra (4), nt)
/dports/science/openmx/openmx3.8/source/
H A DDosMain.c976 int i_in,j_in,k_in,ic,itetra; in Dos_Tetrahedron() local
1057 for (itetra=0;itetra<6;itetra++) { in Dos_Tetrahedron()
1059 tetra_e[ic]=cell_e[ tetra_id[itetra][ic] ]; in Dos_Tetrahedron()
1837 int i_in,j_in,k_in,ic,itetra; in Spectra_Tetrahedron() local
1956 for (itetra=0;itetra<6;itetra++) { in Spectra_Tetrahedron()
1958 tetra_e[ic]=cell_e[ tetra_id[itetra][ic] ]; in Spectra_Tetrahedron()
1959 tetra_a[ic]=cell_a[ GA_AN ][i1][ tetra_id[itetra][ic] ]; in Spectra_Tetrahedron()
/dports/science/quantum-espresso/q-e-qe-6.7.0/EPW/ZG_displacement/src/
H A DZG.f901924 integer :: ik, ibnd, nt, nk, ns, i, ik1, ik2, ik3, ik4, itetra(4) local
1946 itetra(1) = 0
1947 call hpsort (4, etetra, itetra)
1958 ik1 = tetra(itetra(1), nt)
1959 ik2 = tetra(itetra(2), nt)
1960 ik3 = tetra(itetra(3), nt)
1961 ik4 = tetra(itetra(4), nt)