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quantum-espresso
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change Ryd to Ry

This commit is contained in:
Ronald Cohen 2019-07-08 18:26:53 +02:00
parent 01adfa40d6
commit c76c1bda4c
2 changed files with 3 additions and 3 deletions
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2
PW/src/add_bfield.f90
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@ -105,7 +105,7 @@ SUBROUTINE add_bfield (v,rho)
end if
deallocate (m2, m_loc, r_loc)
write (stdout,'(4x,a,F15.8)' ) " constraint energy (Ryd) = ", etcon
write (stdout,'(4x,a,F15.8)' ) " constraint energy (Ry) = ", etcon
ELSE IF (i_cons==3.or.i_cons==6) THEN
m1 = 0.d0
DO ipol = 1, npol

4
PW/src/stress.f90
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@ -195,7 +195,7 @@ subroutine stress ( sigma )
CALL symmatrix ( sigma )
!
! write results in Ryd/(a.u.)^3 and in kbar
! write results in Ry/(a.u.)^3 and in kbar
!
IF ( do_comp_esm .and. ( esm_bc .ne. 'pbc' ) ) THEN ! for ESM stress
write( stdout, 9000) (sigma(1,1) + sigma(2,2)) * ry_kbar/3d0, &
@ -238,7 +238,7 @@ subroutine stress ( sigma )
call stop_clock ('stress')
return
9000 format (10x,'total stress (Ryd/bohr**3) ',18x,'(kbar)', &
9000 format (10x,'total stress (Ry/bohr**3) ',18x,'(kbar)', &
&5x,'P=',f12.2/3 (3f13.8,4x,3f12.2/))
9005 format &
& (5x,'kinetic stress (kbar)',3f10.2/2(26x,3f10.2/)/ &