! ! Copyright (C) 2001-2018 Quantum ESPRESSO ! This file is distributed under the terms ! GNU General Public License. See the file ! in the root directory of the present dis ! or http://www.gnu.org/copyleft/gpl.txt . ! ! !------------------------------------------------------------ SUBROUTINE setup_offset_beta !---------------------------------------------------------- ! ! Calculate the offset of beta functions for each atom na. ! Ordering: first all betas for atoms of type 1, ! then all betas for atoms of type 2, and so on. ! USE uspp_param, ONLY : nh USE ions_base, ONLY : nat, ityp, ntyp => nsp USE control_lr, ONLY : ofsbeta ! IMPLICIT NONE ! INTEGER :: na, iat, nt, jkb2, ih ! jkb2 = 0 DO nt = 1, ntyp DO na = 1, nat IF ( ityp(na).EQ.nt ) THEN ofsbeta(na) = jkb2 DO ih = 1, nh(nt) jkb2 = jkb2 + 1 ENDDO ENDIF ENDDO ENDDO ! RETURN ! END SUBROUTINE setup_offset_beta