[Pw_forum] Problem with LDA+U in rutile optimization

[Franco Bonafé]

Hi

I am trying to optimize a rutile surface using LDA+U. I keep getting the
same error in the output file:

*from  read_namelists  : error #        19*
*      reading namelist system *
* %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%*
*
*
*     stopping ...*

I am using Quantum Espresso 4.3.2. If anyone can shed some light on this
issue, it'd be appreciated.
I include some of the input file here.
Thank you all.

Franco Bonafé

 &CONTROL
                 calculation = 'relax' ,
                restart_mode = 'from_scratch' ,
                      outdir = '/home/eleiva/scratch/Franco/tmp' ,
                  pseudo_dir =
'/home/eleiva/scratch/Franco/espresso/pseudo/' ,
 /
 &SYSTEM
                       ibrav = 0,
                   celldm(1) = 17.336,
                         nat = 48,
                        ntyp = 2,
                     ecutwfc = 28 ,
                     ecutrho = 130 ,
                 occupations = 'smearing' ,
                     degauss = 0.03 ,
                  lda_plus_u = .true. ,
             lda_plus_u_kind = 0 ,
                Hubbard_U(2) = 3.5,
 /
 &ELECTRONS
            electron_maxstep = 300,
                    conv_thr = 1.0d-8 ,
                 mixing_mode = 'local-TF' ,
                 mixing_beta = 0.7 ,
             diagonalization = 'david' ,
 /
 &IONS
                ion_dynamics = 'bfgs' ,
 /
CELL_PARAMETERS alat
     1.000000000    0.000000000    0.000000000
     0.000000000    1.000000000    0.000000000
     0.000000000    0.000000000    1.734030957
ATOMIC_SPECIES
   Ti   47.86700  Ti.pz-sp-van_ak.UPF
    O   15.99940  O.pz-van_ak.UPF

-- 
Franco P. Bonafé
*BSc Chemistry Student/Scholar*
*Department of Physical Chemistry*
*National University of Córdoba*
*Argentina*
*
*
*+57 9 0351 15 5472791*
*fbonafe at fcq.unc.edu.ar*
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