[Pw_forum] Error in routine read_namelists (5010):

Korichi Khadija kooorichi at gmail.com
Sun May 22 22:30:57 CEST 2016


hello

I am new to Quantum Espresso and when I run pw.x  of the scrpit below ,


&control
    calculation='scf'
    restart_mode='from_scratch',
    pseudo_dir='/home/Julnar/software/espresso-4.3.2/pseudo',
    outdir='/scratch/'
    prefix='lead'
    tmp_dir='/home/Julnar/software/espresso-4.3.2/S3DE/iotk/tmp'

 /
 &system
    ibrav = 6,
    celldm(1) = 7.5416,
    celldm(3) = 0.98655,
    nat= 5,
    ntyp= 3,
    nspin = 2,
    starting_magnetization(2)=1.0,
    ecutwfc = 37.0,
    ecutrho = 370.0
    occupations='smearing',
    smearing='methfessel-paxton',
    degauss=0.01
 /
 &electrons
    conv_thr = 1.0e-8
    mixing_beta = 0.1
 /
ATOMIC_SPECIES
 Sr  87.62 Sr.pw91-nsp-van.UPF
 Ru 101.10 Ru.pw91-n-van.UPF
  O  16.00 O.pw91-van_ak.UPF
ATOMIC_POSITIONS
Sr	0	0	0
O	0.5	0.5	0
Ru	0.5	0.5	0.494
O	0.5	0	0.494
O	0	0.5	0.494
K_POINTS (automatic)
 10 10 10 1 1 1


***************************************************************************************

 I am getting the following error:




     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details
at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI), running on     1 processors
     Waiting for input...
     Reading input from standard input

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine  read_namelists (5010):
      reading namelist control
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%



Please may someone shed some light on to why this is the case, and if
there is anything wrong with my input. ?
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