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the default value on nqx1 nqx2 and nqx3 is 1 and not 0 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12384 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
pietrodelugas 2016-05-03 11:52:10 +00:00
parent f066a49980
commit d693bca737
1 changed files with 3 additions and 2 deletions
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5
PW/src/pw_init_qexsd_input.f90
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@ -89,7 +89,7 @@
INTEGER :: lung,l
CHARACTER,EXTERNAL :: capital
CHARACTER(len=20) :: dft_shortname
CHARACTER(len=25) :: dft_longname
CHARACTER(len=25) :: dft_longname
!
!
obj%tagname=TRIM(obj_tagname)
@ -175,7 +175,8 @@
END IF
END IF
!
CALL qexsd_init_dft (obj%dft,TRIM(dft_name),dft_is_hybrid,ip_nqx1,ip_nqx2,ip_nqx3,ip_ecutfock,exx_fraction, &
CALL qexsd_init_dft (obj%dft,TRIM(dft_name),dft_is_hybrid,max(ip_nqx1,1) ,max(ip_nqx2,1), max(ip_nqx3,1), &
ip_ecutfock,exx_fraction, &
screening_parameter,exxdiv_treatment, x_gamma_extrapolation, ip_ecutvcut, &
ip_lda_plus_U,ip_lda_plus_u_kind,2*hubbard_lmax+1,ip_nspin,ntyp,0,ip_nat,atm, &
ip_ityp,ip_hubbard_u,ip_hubbard_j0,ip_hubbard_alpha,ip_hubbard_beta,ip_hubbard_j, &