[Pw_forum] from read_namelists : error # 208

[mohsen modaresi]

Hello Dear Mehmet
I am newbie like you. I suggest to you this page(
http://www.fisica.uniud.it/~giannozz/QE-Tutorial/<http://www.fisica.uniud.it/%7Egiannozz/QE-Tutorial/>)
, It is very useful for me. I think this can help you.
With best wishes

Mohsen Modaresi
Dep. Physics Ferdowsi University Iran


2009/11/10 Mehmet Baturay <emiss_pemiss at hotmail.com>

>  Hi All.. i am newbie. i am trying to learn PWscf..
> i am Working on Cu2MnAl.
> But when i clicke d the run i am getting one error. if u help me i will be
> happy.
> The Error :
>
>      Program PWSCF     v.4.1.1  starts ...
>      Today is 10Nov2009 at 15: 8:14
>
>      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 #       208
>       reading namelist control
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>      stopping ...
>
> My input Data:
>
>  &CONTROL
>                        title = Cu2MnAl ,
>                  calculation = 'scf' ,
>                 restart_mode = 'from_scratch' ,
>                       outdir = '/home/mehmet/Masaüstü/temp/' ,
>                   pseudo_dir = '/home/mehmet/Masaüstü/pseudo2/' ,
>                       prefix = 'cma' ,
>                      tstress = .true. ,
>                      tprnfor = .true. ,
>                       lberry = .false. ,
>                         gdir = 3 ,
>  /
>  &SYSTEM
>                        ibrav = 2,
>                    celldm(1) = 11.172,
>                          nat = 14,
>                         ntyp = 3,
>                      ecutwfc = 30 ,
>                      ecutrho = 350 ,
>  /
>  &ELECTRONS
>                     conv_thr = 1.0D-5 ,
>                  mixing_mode = 'plain' ,
>                  mixing_beta = 0.7 ,
>  /
> ATOMIC_SPECIES
>    Cu   63.54600  Cu.pbe-d-rrkjus.UPF
>    Mn   54.93805  Mn.pbe-sp-van.UPF
>    Al   26.98154  Al.pbe-rrkj.UPF
> ATOMIC_POSITIONS crystal
>    Cu      0.250000000    0.250000000    0.250000000
>    Cu      0.750000000    0.750000000    0.750000000
>    Mn      0.000000000    0.000000000    0.000000000
>    Al      0.500000000    0.500000000    0.500000000
> ------------------------------
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