[Pw_forum] from read_namelists : error # 208

Mehmet Baturay emiss_pemiss at hotmail.com
Tue Nov 10 14:40:49 CET 2009


Hi All.. i am newbie. i am trying to learn PWscf..
i am Working on Cu2MnAl.
But when i clicked 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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