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/dports/science/quantum-espresso/q-e-qe-6.7.0/EPW/src/
H A Dpw2wan2epw.f901491 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 …]
/dports/science/berkeleygw/BGW-2.0.0/MeanField/ABINIT/
H A Dabi2bgw.f9083 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 …]
/dports/science/wannier90/wannier90-3.1.0/pwscf/v3.2.3/
H A Dpw2wannier90.f901080 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 …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/pw4gww/
H A Dcontour_terms.f9020 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)
/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/
H A Dpoormanwannier.f90152 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)
H A Dsym_band.f9091 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 …]
/dports/devel/stack/stack-2.7.3/_cabal_deps/cryptonite-0.29/cbits/
H A Dcryptonite_pbkdf2.h11 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
/dports/net-im/matterhorn/matterhorn-50200.13.0/_cabal_deps/cryptonite-0.27/cbits/
H A Dcryptonite_pbkdf2.h11 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
/dports/finance/hs-hledger-web/hledger-web-1.19/_cabal_deps/cryptonite-0.27/cbits/
H A Dcryptonite_pbkdf2.h11 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
/dports/devel/hs-spago/spago-0.20.3/_cabal_deps/cryptonite-0.28/cbits/
H A Dcryptonite_pbkdf2.h11 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
/dports/devel/hs-darcs/darcs-2.16.4/_cabal_deps/cryptonite-0.27/cbits/
H A Dcryptonite_pbkdf2.h11 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
/dports/devel/hs-hpack/hpack-0.34.4/_cabal_deps/cryptonite-0.26/cbits/
H A Dcryptonite_pbkdf2.h11 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
/dports/devel/hs-hoogle/hoogle-5.0.18.2/_cabal_deps/cryptonite-0.26/cbits/
H A Dcryptonite_pbkdf2.h11 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
/dports/lang/elm/compiler-0.19.1/_cabal_deps/cryptonite-0.26/cbits/
H A Dcryptonite_pbkdf2.h11 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
/dports/www/hs-wai-app-static/wai-app-static-3.1.7.2/_cabal_deps/cryptonite-0.28/cbits/
H A Dcryptonite_pbkdf2.h11 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
/dports/www/hs-yesod-bin/yesod-bin-1.6.1/_cabal_deps/cryptonite-0.28/cbits/
H A Dcryptonite_pbkdf2.h11 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
/dports/www/hs-postgrest/postgrest-8.0.0/_cabal_deps/cryptonite-0.29/cbits/
H A Dcryptonite_pbkdf2.h11 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
/dports/devel/hs-git-annex/git-annex-8.20210903/_cabal_deps/cryptonite-0.27/cbits/
H A Dcryptonite_pbkdf2.h11 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
/dports/lang/purescript/purescript-0.14.5/_cabal_deps/cryptonite-0.27/cbits/
H A Dcryptonite_pbkdf2.h11 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
/dports/x11/hs-xmobar/xmobar-0.39/_cabal_deps/cryptonite-0.27/cbits/
H A Dcryptonite_pbkdf2.h11 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
/dports/textproc/hs-pandoc/pandoc-2.14.2/_cabal_deps/cryptonite-0.29/cbits/
H A Dcryptonite_pbkdf2.h11 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
/dports/textproc/hs-pandoc-crossref/pandoc-crossref-0.3.12.0/_cabal_deps/cryptonite-0.28/cbits/
H A Dcryptonite_pbkdf2.h11 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
/dports/www/hs-DAV/DAV-1.3.4/_cabal_deps/cryptonite-0.27/cbits/
H A Dcryptonite_pbkdf2.h11 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
/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/
H A Ddnsq_bare.f9059 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)
/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/Gamma/
H A Drhod2vkb.f9039 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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