[Pw_forum] PWscf_ERROR_5010 PLEASE_HELP

[Ari P Seitsonen]

Dear Amir,

   There are a couple of small problems in your input ('ntyp', not 'ntyp', 
the default mode for k points in 'tpiba', you shoudl add 'automatic' after 
'K_POINTS'), but as such I have no problem in reading the namelist 
'control'; thus a question, how did you try to start pw.x?

     Greetings from Paris,

        apsi

-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
   Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
   Ecole Normale Supérieure (ENS), Département de Chimie, Paris
   Mobile (F) : +33 789 37 24 25    (CH) : +41 79 71 90 935


On Fri, 16 Oct 2015, Mofrad, Amir Mehdi (MU-Student) wrote:

> 
> To whom it may concern, 
> 
> 
> I am a new user to Quantum Espresso and I am willing to do some DFT calculations and vibrational frequency calculations on zeolite (which has a crystalline structure). When I
> run my Pw file I got the following error. I looked for the error everywhere on the internet and I was not able to solve it. I should say that my operating system is Linux and I
> could run all the examples of QE that have come with the installation. I also provide my input file below. 
> 
> 
> 
> ERROR:
> 
> 
>  task #         0
>      from  read_namelists  : error #      5010
>       reading namelist control
> 
>    
> 
> 
> 
> INPUT FILE :
> 
> 
> &control
>   calculation='scf',
>   prefix='sod',
>   verbosity='high',
>   pseudo_dir='../../pseudo',
>   outdir='./',
> /
> 
> &system
>   ibrav=1
>   ntype=2
>   nat=3
>   a=8.848
>   ecutwfc=20
> /
> 
> &electrons
>   mixing_beta=0.7
> /
> 
> 
> ATOMIC_SPECIES
> Si 28.086 Si.pbe-rrkj.UPF
> O  16.00 O.pbe-rrkjus.UPF
> 
> ATOMIC_POSITIONS {crystal}
> Si 0.25 0.0 0.5
> Si 0.25 0.5 0.0
> O 0.1366 0.4338 0.1490
> 
> K_POINTS
> 6 6 6 1 1 1
> 
> 
> 
> I would really appreciate it if you would help me.
> 
> 
> Best regards,
> 
> 
> 
> Amir M. Mofrad    
> 
> Graduate Research Assistant     
> 
> Chemical Engineering Department
> 
> University of Missouri
> 
> 
>