/dports/science/quantum-espresso/q-e-qe-6.7.0/EPW/src/ |
H A D | pw2wan2epw.f90 | 1491 psic(dffts%nl(igk_k(1:npw, ik))) = evc(1:npw, ibnd) 1689 norm_psi = REAL(SUM(evc(1:npw, ibnd) * CONJG(evc(1:npw, ibnd)))) 1696 nowfc_tmp = SUM(evc(1:npw, ibnd) * phase_g(1:npw, iw)) 1878 gf_spinor(1:npw, iw) = gf(1:npw, iw) * fac(1) 1879 gf_spinor(1 + npwx:npw + npwx, iw) = gf(1:npw, iw) * fac(2) 2269 psic(dffts%nl(igk_k(1:npw, ik))) = evc(1:npw, m) 2931 DO ig = 1, npw 2958 DO ig = 1, npw 3243 npw = ngk(ik) 3390 npw = ngk(ik) [all …]
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/dports/science/berkeleygw/BGW-2.0.0/MeanField/ABINIT/ |
H A D | abi2bgw.f90 | 83 integer:: npw,mpw,nspinor,nkpt,nbandk,mband,nspin,nsppol local 129 READ(iunit)npw,nspinor,nbandk ! for each k point 132 if(npw .ne. abi_basis%number_of_coefficients(ik))& 140 READ(iunit)red_coord_pw_k(1:3,1:npw) 147 red_coord_pw_save(1:3,1:npw,ik,isppol)=red_coord_pw_k(1:3,1:npw) 149 call write_gvectors(ounit,outformat,npw,mpw,red_coord_pw_k) 167 &ij=1,npw*nspinor) 169 cg_save(1:2,1:npw,iband,ik,isppol)=cg(1:2,1:npw) 173 do ipw=1,npw 189 npw=abi_basis%number_of_coefficients(ik) [all …]
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/dports/science/wannier90/wannier90-3.1.0/pwscf/v3.2.3/ |
H A D | pw2wannier90.f90 | 1080 psic_nc(nls (igk (1:npw) ),ipol ) = evc_nc(1:npw,ipol, m) 1088 psic(nls (igk (1:npw) ) ) = evc (1:npw, m) 1089 if(gamma_only) psic(nlsm(igk (1:npw) ) ) = conjg(evc (1:npw, m)) 1364 allocate( gk(3,npw), qg(npw), ylm(npw,lmax2), sk(npw), radial(npw,0:lmax) ) 1366 do ig = 1, npw 1388 do ig=1,npw 1392 do ig=1,npw 1527 psic(nls (igk (1:npw) ) ) = evc (1:npw, ibnd) 1528 if (gamma_only) psic(nlsm(igk (1:npw) ) ) = conjg(evc (1:npw, ibnd)) 1639 write(stdout,*) 'npw ',npw [all …]
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/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/pw4gww/ |
H A D | contour_terms.f90 | 20 USE wvfct, ONLY : npwx, npw, nbnd 30 COMPLEX(kind=DP), INTENT(in) :: s_basis( npw,n_s)!s vectors 41 call dgemm('T','N',n_s,num_nbnds,2*npw,2.d0,s_basis,2*npw,evc,2*npwx,0.d0,c_mat,n_s)
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/ |
H A D | poormanwannier.f90 | 152 INTEGER :: npw, ibnd, ik, na, nt, n, m, l, nwfc, lmax_wfc, & local 246 npw = ngk(ik) 257 CALL init_us_2 (npw, igk_k(1,ik), xk (1, ik), vkb) 259 CALL calbec ( npw, vkb, wfcU, becp ) 261 CALL s_psi (npwx, npw, ldim1, wfcU, swfcatom) 269 CALL calbec ( npw, swfcatom, evc, rproj0 ) 274 CALL calbec ( npw, swfcatom, evc, proj0 ) 336 CALL zgemm( 'N', 'C', npw, ldim1, ldim2, ONE, evc(1,first_band), npwx, & 339 CALL calbec ( npw, vkb, wfcU, becp ) 341 CALL s_psi (npwx, npw, ldim1, wfcU, swfcatom)
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H A D | sym_band.f90 | 91 npw = ngk(ik) 400 npw = ngk(ik) 403 psic(dfftp%nl(igk_k(1:npw,ik)),ibnd) = evc(1:npw,ibnd) 443 DOT_PRODUCT (evc(1:npw,ibnd),evcr(1:npw,ibnd)) 565 npw = ngk(ik) 627 evcr(1:npw,ibnd) = psir(dfftp%nl(igk_k(1:npw,ik))) 663 evcr(1:npw,ibnd) = psir(dfftp%nl(igk_k(1:npw,ik))) 783 npw = ngk(ik) 947 npw = ngk(ik) 1002 evcr_save(1:npw,ipol,ibnd) = psir(dfftp%nl(igk_k(1:npw,ik))) [all …]
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/dports/devel/stack/stack-2.7.3/_cabal_deps/cryptonite-0.29/cbits/ |
H A D | cryptonite_pbkdf2.h | 11 void cryptonite_fastpbkdf2_hmac_sha1( const uint8_t *pw, size_t npw 16 void cryptonite_fastpbkdf2_hmac_sha256( const uint8_t *pw, size_t npw 21 void cryptonite_fastpbkdf2_hmac_sha512( const uint8_t *pw, size_t npw
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/dports/net-im/matterhorn/matterhorn-50200.13.0/_cabal_deps/cryptonite-0.27/cbits/ |
H A D | cryptonite_pbkdf2.h | 11 void cryptonite_fastpbkdf2_hmac_sha1( const uint8_t *pw, size_t npw 16 void cryptonite_fastpbkdf2_hmac_sha256( const uint8_t *pw, size_t npw 21 void cryptonite_fastpbkdf2_hmac_sha512( const uint8_t *pw, size_t npw
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/dports/finance/hs-hledger-web/hledger-web-1.19/_cabal_deps/cryptonite-0.27/cbits/ |
H A D | cryptonite_pbkdf2.h | 11 void cryptonite_fastpbkdf2_hmac_sha1( const uint8_t *pw, size_t npw 16 void cryptonite_fastpbkdf2_hmac_sha256( const uint8_t *pw, size_t npw 21 void cryptonite_fastpbkdf2_hmac_sha512( const uint8_t *pw, size_t npw
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/dports/devel/hs-spago/spago-0.20.3/_cabal_deps/cryptonite-0.28/cbits/ |
H A D | cryptonite_pbkdf2.h | 11 void cryptonite_fastpbkdf2_hmac_sha1( const uint8_t *pw, size_t npw 16 void cryptonite_fastpbkdf2_hmac_sha256( const uint8_t *pw, size_t npw 21 void cryptonite_fastpbkdf2_hmac_sha512( const uint8_t *pw, size_t npw
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/dports/devel/hs-darcs/darcs-2.16.4/_cabal_deps/cryptonite-0.27/cbits/ |
H A D | cryptonite_pbkdf2.h | 11 void cryptonite_fastpbkdf2_hmac_sha1( const uint8_t *pw, size_t npw 16 void cryptonite_fastpbkdf2_hmac_sha256( const uint8_t *pw, size_t npw 21 void cryptonite_fastpbkdf2_hmac_sha512( const uint8_t *pw, size_t npw
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/dports/devel/hs-hpack/hpack-0.34.4/_cabal_deps/cryptonite-0.26/cbits/ |
H A D | cryptonite_pbkdf2.h | 11 void cryptonite_fastpbkdf2_hmac_sha1( const uint8_t *pw, size_t npw 16 void cryptonite_fastpbkdf2_hmac_sha256( const uint8_t *pw, size_t npw 21 void cryptonite_fastpbkdf2_hmac_sha512( const uint8_t *pw, size_t npw
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/dports/devel/hs-hoogle/hoogle-5.0.18.2/_cabal_deps/cryptonite-0.26/cbits/ |
H A D | cryptonite_pbkdf2.h | 11 void cryptonite_fastpbkdf2_hmac_sha1( const uint8_t *pw, size_t npw 16 void cryptonite_fastpbkdf2_hmac_sha256( const uint8_t *pw, size_t npw 21 void cryptonite_fastpbkdf2_hmac_sha512( const uint8_t *pw, size_t npw
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/dports/lang/elm/compiler-0.19.1/_cabal_deps/cryptonite-0.26/cbits/ |
H A D | cryptonite_pbkdf2.h | 11 void cryptonite_fastpbkdf2_hmac_sha1( const uint8_t *pw, size_t npw 16 void cryptonite_fastpbkdf2_hmac_sha256( const uint8_t *pw, size_t npw 21 void cryptonite_fastpbkdf2_hmac_sha512( const uint8_t *pw, size_t npw
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/dports/www/hs-wai-app-static/wai-app-static-3.1.7.2/_cabal_deps/cryptonite-0.28/cbits/ |
H A D | cryptonite_pbkdf2.h | 11 void cryptonite_fastpbkdf2_hmac_sha1( const uint8_t *pw, size_t npw 16 void cryptonite_fastpbkdf2_hmac_sha256( const uint8_t *pw, size_t npw 21 void cryptonite_fastpbkdf2_hmac_sha512( const uint8_t *pw, size_t npw
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/dports/www/hs-yesod-bin/yesod-bin-1.6.1/_cabal_deps/cryptonite-0.28/cbits/ |
H A D | cryptonite_pbkdf2.h | 11 void cryptonite_fastpbkdf2_hmac_sha1( const uint8_t *pw, size_t npw 16 void cryptonite_fastpbkdf2_hmac_sha256( const uint8_t *pw, size_t npw 21 void cryptonite_fastpbkdf2_hmac_sha512( const uint8_t *pw, size_t npw
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/dports/www/hs-postgrest/postgrest-8.0.0/_cabal_deps/cryptonite-0.29/cbits/ |
H A D | cryptonite_pbkdf2.h | 11 void cryptonite_fastpbkdf2_hmac_sha1( const uint8_t *pw, size_t npw 16 void cryptonite_fastpbkdf2_hmac_sha256( const uint8_t *pw, size_t npw 21 void cryptonite_fastpbkdf2_hmac_sha512( const uint8_t *pw, size_t npw
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/dports/devel/hs-git-annex/git-annex-8.20210903/_cabal_deps/cryptonite-0.27/cbits/ |
H A D | cryptonite_pbkdf2.h | 11 void cryptonite_fastpbkdf2_hmac_sha1( const uint8_t *pw, size_t npw 16 void cryptonite_fastpbkdf2_hmac_sha256( const uint8_t *pw, size_t npw 21 void cryptonite_fastpbkdf2_hmac_sha512( const uint8_t *pw, size_t npw
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/dports/lang/purescript/purescript-0.14.5/_cabal_deps/cryptonite-0.27/cbits/ |
H A D | cryptonite_pbkdf2.h | 11 void cryptonite_fastpbkdf2_hmac_sha1( const uint8_t *pw, size_t npw 16 void cryptonite_fastpbkdf2_hmac_sha256( const uint8_t *pw, size_t npw 21 void cryptonite_fastpbkdf2_hmac_sha512( const uint8_t *pw, size_t npw
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/dports/x11/hs-xmobar/xmobar-0.39/_cabal_deps/cryptonite-0.27/cbits/ |
H A D | cryptonite_pbkdf2.h | 11 void cryptonite_fastpbkdf2_hmac_sha1( const uint8_t *pw, size_t npw 16 void cryptonite_fastpbkdf2_hmac_sha256( const uint8_t *pw, size_t npw 21 void cryptonite_fastpbkdf2_hmac_sha512( const uint8_t *pw, size_t npw
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/dports/textproc/hs-pandoc/pandoc-2.14.2/_cabal_deps/cryptonite-0.29/cbits/ |
H A D | cryptonite_pbkdf2.h | 11 void cryptonite_fastpbkdf2_hmac_sha1( const uint8_t *pw, size_t npw 16 void cryptonite_fastpbkdf2_hmac_sha256( const uint8_t *pw, size_t npw 21 void cryptonite_fastpbkdf2_hmac_sha512( const uint8_t *pw, size_t npw
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/dports/textproc/hs-pandoc-crossref/pandoc-crossref-0.3.12.0/_cabal_deps/cryptonite-0.28/cbits/ |
H A D | cryptonite_pbkdf2.h | 11 void cryptonite_fastpbkdf2_hmac_sha1( const uint8_t *pw, size_t npw 16 void cryptonite_fastpbkdf2_hmac_sha256( const uint8_t *pw, size_t npw 21 void cryptonite_fastpbkdf2_hmac_sha512( const uint8_t *pw, size_t npw
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/dports/www/hs-DAV/DAV-1.3.4/_cabal_deps/cryptonite-0.27/cbits/ |
H A D | cryptonite_pbkdf2.h | 11 void cryptonite_fastpbkdf2_hmac_sha1( const uint8_t *pw, size_t npw 16 void cryptonite_fastpbkdf2_hmac_sha256( const uint8_t *pw, size_t npw 21 void cryptonite_fastpbkdf2_hmac_sha512( const uint8_t *pw, size_t npw
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/ |
H A D | dnsq_bare.f90 | 59 ibnd, ldim, npw, npwq, ik, ikk, ikq, iundnsbare local 133 npw = ngk(ikk) 144 CALL init_us_2 (npw, igk_k(1,ikk), xk(:,ikk), vkb) 157 CALL dwfc (npw, igk_k(1,ikk), ikk, icart, & 198 CALL dwfc (npw, igk_k(1,ikk), ikk, icart, & 203 CALL swfc (npw, 1, vkb, dwfcatom_, sdwfcatomk(:,ihubst)) 218 proj1 (ibnd,ihubst) = ZDOTC (npw, swfcatomk(1,ihubst), 1, evc(1,ibnd), 1) 219 proj2 (ibnd,ihubst) = ZDOTC (npw, dmqsphi(1,ihubst ), 1, evc(1,ibnd), 1)
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/Gamma/ |
H A D | rhod2vkb.f90 | 39 INTEGER :: npw, i, ih, ibnd, na, nt, nu_i,nu_j,mu_i,mu_j, ir, ng, jkb, ik, & local 106 npw = ngk(ik) 114 CALL calbec ( npw, vkb, evc, becp ) 120 DO i = 1,npw 125 CALL calbec ( npw, dvkb, evc, becp1(:,:,ipol) ) 134 DO i = 1,npw 140 CALL calbec ( npw, dvkb, evc, becp2(:,:,ijpol) )
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