[Pw_forum] from 4.1 to 4.2 and 4.3.1 versions of QE in IBM sp6

[Emine Kucukbenli]

Dear Giacomo
The following error message

> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      task #         1
>      from  read_namelists  : error #        88
>       reading namelist system
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

means that there is a problem with parameters in the &system namelist  
of the input file.
So you need to look here:

> &SYSTEM
>     ibrav=  4, celldm(1) = 5.462171712, celldm(3) = 3.7856422, nat=  3, ntyp=
> 2,
>     ecutwfc =100.0, nbnd=100, force_symmorphic=.true., nspin=2,
>     occupations='smearing'
>     smearing='gauss',
>     degauss=0.01,
>     starting_magnetization(1) = 1.,
>     nelup=14,
>     neldw=11,
>     nelec=25,
> /

Apparently something has changed between versions.
 From the description of the input file in the following link:
http://www.quantum-espresso.org/input-syntax/INPUT_PW.html
I think the parameters that are no longer in use are nelec, neldw, and nelup.
look for the tot_charge and tot_magnetization etc.
cheers
emine kucukbenli, sissa, italy