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quantum-espresso
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Sorry, the other way around. 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9150 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
dceresoli 2012-07-03 15:07:18 +00:00
parent e14f50ab3c
commit 9831fdcaa6
1 changed files with 5 additions and 5 deletions
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10
PW/src/input.f90
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@ -24,7 +24,7 @@ SUBROUTINE iosys()
USE funct, ONLY : dft_has_finite_size_correction, &
set_finite_size_volume, get_inlc
USE funct, ONLY: set_exx_fraction, set_screening_parameter
USE control_flags, ONLY: adapt_thr, tr2_init, tr2_multi, scf_must_converge
USE control_flags, ONLY: adapt_thr, tr2_init, tr2_multi
USE constants, ONLY : autoev, eV_to_kelvin, pi, rytoev, &
ry_kbar, amu_ry, bohr_radius_angs, eps8
USE mp_global, ONLY : npool, nproc_pool
@ -176,8 +176,8 @@ SUBROUTINE iosys()
ldamped, lbands, llang, &
lconstrain, restart, twfcollect, &
llondon, do_makov_payne, &
lecrpa_ => lecrpa, &
scf_must_converge_ => scf_must_converge
lecrpa_ => lecrpa
USE control_flags, ONLY: scf_must_converge_ => scf_must_converge
!
USE wvfct, ONLY : nbnd_ => nbnd, &
ecutwfc_ => ecutwfc, &
@ -284,7 +284,7 @@ SUBROUTINE iosys()
tqr, diago_thr_init, diago_cg_maxiter, &
diago_david_ndim, diagonalization, &
diago_full_acc, startingwfc, startingpot, &
real_space
real_space, scf_must_converge
USE input_parameters, ONLY : adaptive_thr, conv_thr_init, conv_thr_multi
!
! ... IONS namelist
@ -902,7 +902,6 @@ SUBROUTINE iosys()
!
tr2 = conv_thr
niter = electron_maxstep
scf_must_converge_ = scf_must_converge
adapt_thr = adaptive_thr
tr2_init = conv_thr_init
tr2_multi = conv_thr_multi
@ -1105,6 +1104,7 @@ SUBROUTINE iosys()
nstep_ = nstep
iprint_ = iprint
lecrpa_ = lecrpa
scf_must_converge_ = scf_must_converge
!
nat_ = nat
ntyp_ = ntyp