Searched refs:xkq_collect (Results 1 – 4 of 4) sorted by relevance
/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
H A D | exx_base.f90 | 38 REAL(DP), ALLOCATABLE :: xkq_collect(:,:) variable 196 IF (ALLOCATED(xkq_collect)) DEALLOCATE( xkq_collect ) 340 ALLOCATE( xkq_collect(3,nspin_lsda*nkqs), index_xk(nspin_lsda*nkqs), & 345 xkq_collect(:,ik) = temp_xkq(:,ikq) 350 CALL cryst_to_cart( nkqs, xkq_collect, bg, +1 ) 358 WRITE( stdout, '(3f12.7,5x,2i5)') (xkq_collect(ikq,ik), ikq=1,3), & 377 xkq_collect(:,ikq+nkqs) = xkq_collect(:,ikq) 397 qnorm = MAX(qnorm, SQRT( SUM((xk(:,ik)-xkq_collect(:,iq))**2) ))
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H A D | us_exx.f90 | 778 SUBROUTINE rotate_becxx( nkqs, index_xk, index_sym, xkq_collect ) argument 810 REAL(DP), INTENT(IN):: xkq_collect(3,nspin_lsda*nkqs) local 895 xk_collect(:,index_xk(ikq)), xkq_collect(:,ikq) ) 1122 npwq = n_plane_waves( gcutw, nkqs, xkq_collect, g, ngm ) 1141 CALL gk_sort( xkq_collect(:,ikq), ngm, g, gcutw, ngkq(ikq), igkq, gk ) 1143 CALL init_us_2( ngkq(ikq), igkq, xkq_collect(:,ikq), vkbq )
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H A D | exx.f90 | 294 IF ( ALLOCATED(xkq_collect ) ) DEALLOCATE( xkq_collect ) 780 IF (okvan) CALL rotate_becxx( nkqs, index_xk, index_sym, xkq_collect ) 890 USE exx_base, ONLY : nqs, index_xkq, index_xk, xkq_collect, & 968 xkq = xkq_collect(:,ikq) 1247 USE exx_base, ONLY : nqs, xkq_collect, index_xkq, index_xk, & 1400 xkq = xkq_collect(:,ikq) 1914 xkq = xkq_collect(:,ikq) 2269 xkq = xkq_collect(:,ikq) 3467 xkq = xkq_collect(:,ikq) 3788 USE exx_base, ONLY : index_xkq, nqs, index_xk, xkq_collect, & [all …]
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/ |
H A D | open_grid.f90 | 21 USE exx_base, ONLY : nq1,nq2,nq3, xkq_collect, & 148 xk(:,1:nks) = xkq_collect(:,1:nks) 175 xk(:,ik_idx_kpt) = xkq_collect(:,ik_idx_exx)
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