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 D | paw_type.f90 | 39 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 D | atomic_paw.f90 | 262 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 D | export_upf.f90 | 323 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 D | import_upf.f90 | 214 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 D | pseudo_types.f90 | 26 aewfc_rel(:,:) ! as above, but for pseudo component 187 IF( ALLOCATED( paw%aewfc_rel ) ) DEALLOCATE (paw%aewfc_rel )
|
H A D | read_upf_v2.f90 | 645 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 D | read_upf_schema.f90 | 526 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 D | read_upf_new.f90 | 573 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 D | write_upf_new.f90 | 722 CALL xmlw_writetag(tag, upf%paw%aewfc_rel(1:upf%mesh,nb) )
|
H A D | write_upf_v2.f90 | 574 CALL write_data(u, upf%paw%aewfc_rel(:,nb), tag = TRIM(tag_aewfc))
|
H A D | write_upf_schema.f90 | 656 … 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 D | read_pseudo.f90 | 529 ( upf%paw%aewfc_rel(upf%mesh, upf%nbeta) ) 532 (upf%paw%aewfc_rel,ionode_id,comm )
|