[Pw_forum] NOSYM tag

[giacsport at libero.it]

Dear All,
            I would like to calculate the GS energy of Al atom (and similarly 
of other elements). In order to do this I set this input file

&control
    calculation = 'scf',
    restart_mode='from_scratch',
    pseudo_dir = './'
    outdir='./',
    prefix='Aluminium_1atom',
    tprnfor     = .true.,
    tstress     = .true.,
    wf_collect=.true.,
/
&system
    ibrav=  1, celldm(1)= 17.
    nat=  1, ntyp= 1, nspin=2, nosym= 'true',
    ecutwfc = 65.,  occupations='smearing',
    degauss=0.01, smearing='gaussian', starting_magnetization(1)= 1
/
&electrons
diagonalization='david'
mixing_mode = 'plain'
mixing_beta = 0.7
conv_thr = 1.0d-6
/
&IONS
/
&CELL
  cell_dynamics='none'
/
ATOMIC_SPECIES
Al  26.982    Al.pbe-rrkj.UPF
ATOMIC_POSITIONS crystal
  Al    0.50000   0.50000   0.50000
K_POINTS automatic
1 1 1 0 0 0



and I get an error message

     Program PWSCF     v.4.1.3  starts ...
     Today is 31May2012 at 18: 6:42

     Parallel version (MPI)

     Number of processors in use:       8
     R & G space division:  proc/pool =    8

     For Norm-Conserving or Ultrasoft (Vanderbilt) Pseudopotentials or PAW

     Current dimensions of program pwscf are:
     Max number of different atomic species (ntypx) = 10
     Max number of k-points (npk) =  40000
     Max angular momentum in pseudopotentials (lmaxx) =  3
     Waiting for input...


 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from  read_namelists  : error #        64
      reading namelist system
 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%


but when I remove the tag

nosym='true' 

the calculation successfully ends.


Could you kindly tell me what is wrog in my input file?

Thanks in advance for the kind cooperation.

With best regards,
Giacomo









---------

Giacomo GIORGI
Assistant Professor
Research Center for Advanced Science and Technology (RCAST),
The University of Tokyo
4-6-1, Komaba, Meguro-ku, Tokyo 153-8904, Japan