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Searched refs:aewfc_rel (Results 1 – 12 of 12) sorted by relevance

/dports/science/quantum-espresso/q-e-qe-6.7.0/atomic/src/
H A Dpaw_type.f9039 aewfc_rel(:,:), & !(ndmx,nwfsx) all-electron wavefunctions component
68 NULLIFY( paw%oc, paw%enl, paw%aewfc, paw%aewfc_rel, paw%pswfc, paw%proj)
87 ALLOCATE ( paw%aewfc_rel(size_mesh,size_nwfc) )
111 IF( ASSOCIATED( paw%aewfc_rel ) ) DEALLOCATE( paw%aewfc_rel )
H A Datomic_paw.f90262 pawset_%aewfc_rel(1:mesh,1:nbeta) = psipaw_rel(1:mesh,1:nbeta)
301 +pawset_%aewfc_rel(1:irc,ns) * pawset_%aewfc_rel(1:irc,ns1)
477 pawset_%aewfc_rel(1:irc,ns)*pawset_%aewfc_rel(1:irc,ns1)
637 psipaw_rel(1:mesh,1:nbeta)=pawset_%aewfc_rel(1:mesh,1:nbeta)
945 pawset_%aewfc_rel(1:pawset_%irc,ns ) * &
946 pawset_%aewfc_rel(1:pawset_%irc,ns1) * &
1004 pawset_%aewfc_rel(1:pawset_%irc,ns ) * &
1005 pawset_%aewfc_rel(1:pawset_%irc,ns1) * &
1178 projsum_(ns,ns1,is) * pawset_%aewfc_rel(1:pawset_%irc,ns) * &
1179 pawset_%aewfc_rel(1:pawset_%irc,ns1)
H A Dexport_upf.f90323 ALLOCATE( upf%paw%aewfc_rel(upf%mesh, upf%nbeta) )
324 upf%paw%aewfc_rel(1:upf%mesh,1:upf%nbeta) = &
325 pawsetup%aewfc_rel(1:upf%mesh,1:upf%nbeta)
H A Dimport_upf.f90214 pawset_%aewfc_rel(1:mesh,1:nbeta) = upf_%paw%aewfc_rel(1:mesh,1:nbeta)
/dports/science/quantum-espresso/q-e-qe-6.7.0/upflib/
H A Dpseudo_types.f9026 aewfc_rel(:,:) ! as above, but for pseudo component
187 IF( ALLOCATED( paw%aewfc_rel ) ) DEALLOCATE (paw%aewfc_rel )
H A Dread_upf_v2.f90645 ALLOCATE( upf%paw%aewfc_rel(upf%mesh, upf%nbeta) )
646 upf%paw%aewfc_rel = 0._dp
662 CALL extractDataContent(locNode, upf%paw%aewfc_rel(:,nbae_rel))
782 upf%paw%aewfc_rel(1:upf%paw%iraug, nb) * &
783 upf%paw%aewfc_rel(1:upf%paw%iraug, nb1)
H A Dread_upf_schema.f90526 ALLOCATE( upf%paw%aewfc_rel(upf%mesh, upf%nbeta) )
532 CALL extractDataContent ( locNode, upf%paw%aewfc_rel(:,index) )
536 IF (.NOT. exst(nb) ) upf%paw%aewfc_rel=0.0_DP
644 upf%paw%aewfc_rel(1:upf%paw%iraug, nb) * &
645 upf%paw%aewfc_rel(1:upf%paw%iraug, nb1)
H A Dread_upf_new.f90573 ALLOCATE (upf%paw%aewfc_rel(1:upf%mesh,upf%nbeta) )
580 CALL xmlr_readtag(tag, upf%paw%aewfc_rel(1:upf%mesh,nb) )
686 upf%paw%aewfc_rel(1:upf%paw%iraug, nb) * &
687 upf%paw%aewfc_rel(1:upf%paw%iraug, mb)
H A Dwrite_upf_new.f90722 CALL xmlw_writetag(tag, upf%paw%aewfc_rel(1:upf%mesh,nb) )
H A Dwrite_upf_v2.f90574 CALL write_data(u, upf%paw%aewfc_rel(:,nb), tag = TRIM(tag_aewfc))
H A Dwrite_upf_schema.f90656 … CALL xml_addCharacters(u, upf%paw%aewfc_rel(irow:min(irow-1+4, upf%mesh), nb) , fmt = 's16')
/dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/
H A Dread_pseudo.f90529 ( upf%paw%aewfc_rel(upf%mesh, upf%nbeta) )
532 (upf%paw%aewfc_rel,ionode_id,comm )