Format of the pseudopotential files (US-RRKJ3): (a75) titleps ! a string (i5) pseudotype ! the type of pseudo (3 for US) (2l5) rel, nlcc(is) ! rel true for relativistic pseudi ! nlcc for NLCC (4i5) mfxcx, mfxcc, mgcx, mgcc ! indeces of GGA (2e17.11,i5) zp(is), etotps, lmax(is)! valence charge, total energy, lmax (4e17.11,i5) xmin(is),rdum,zmesh(is),dx(is),mesh(is) ! the mesh (2i5) nwfs, nbeta(is) ! number of wavefunctions and projectors (1p4e19.11) ( rdum, nb=1,nwfs ) (1p4e19.11) ( rdum, nb=1,nwfs ) do nb=1,nwfs (a2,2i3,f6.2) rdum, ndum, lchi(nb,is), oc(nb,is) ! the l and occupations ! of each wavefunction enddo do nb=1,nbeta(is) (i6) ikk ! the point where the beta is zero (1p4e19.11) ( betar(ir,nb,is), ir=1,ikk) ! the beta functions do mb=1,nb (1p4e19.11) dion(nb,mb,is) ! d0 coefficients if (pseudotype.eq.3) then (1p4e19.11) qqq(nb,mb,is) ! q coefficients (1p4e19.11) (qfunc(n,nb,mb,is),n=1,mesh(is)) ! augmentation functions endif enddo enddo (1p4e19.11) rdum, ( vnl(ir,lloc(is),is), ir=1,mesh(is) ) ! the local potential (1p4e19.11) ( rho_at(ir,is), ir=1,mesh(is) ) ! the atomic charge if ( nlcc(is) ) then (1p4e19.11) ( rho_atc(ir,is), ir=1,mesh(is) ) ! the core charge endif (1p4e19.11) ((chi(ir,nb,is),ir=1,mesh(is)),nb=1,nwfs) ! the pseudo wavefunctions All GGA described in the PWSCF code are allowed with this format