[Pw_forum] Error in routine read_namelists (5010):

[Yue-Wen Fang]

Hi, Korichi

I think outdir='/scratch/' could be wrong, are your sure it is not
"~/scratch" or some other directory?

In addtion, please include your affiliation next time when you post new
thread.

Bests
Fang


2016-05-23 5:30 GMT+09:00 Korichi Khadija <kooorichi at gmail.com>:

> hello
>
> I am new to Quantum Espresso and when I run pw.x  of the scrpit below ,
>
>
> &control
>     calculation='scf'
>     restart_mode='from_scratch',
>     pseudo_dir='/home/Julnar/software/espresso-4.3.2/pseudo',
>     outdir='/scratch/'
>     prefix='lead'
>     tmp_dir='/home/Julnar/software/espresso-4.3.2/S3DE/iotk/tmp'
>
>  /
>  &system
>     ibrav = 6,
>     celldm(1) = 7.5416,
>     celldm(3) = 0.98655,
>     nat= 5,
>     ntyp= 3,
>     nspin = 2,
>     starting_magnetization(2)=1.0,
>     ecutwfc = 37.0,
>     ecutrho = 370.0
>     occupations='smearing',
>     smearing='methfessel-paxton',
>     degauss=0.01
>  /
>  &electrons
>     conv_thr = 1.0e-8
>     mixing_beta = 0.1
>  /
> ATOMIC_SPECIES
>  Sr  87.62 Sr.pw91-nsp-van.UPF
>  Ru 101.10 Ru.pw91-n-van.UPF
>   O  16.00 O.pw91-van_ak.UPF
> ATOMIC_POSITIONS
> Sr	0	0	0
> O	0.5	0.5	0
> Ru	0.5	0.5	0.494
> O	0.5	0	0.494
> O	0	0.5	0.494
> K_POINTS (automatic)
>  10 10 10 1 1 1
>
>
>
> ***************************************************************************************
>
>  I am getting the following error:
>
>
>
>
>      This program is part of the open-source Quantum ESPRESSO suite
>      for quantum simulation of materials; please cite
>          "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
>           URL http://www.quantum-espresso.org",
>      in publications or presentations arising from this work. More details
> at
>      http://www.quantum-espresso.org/quote
>
>      Parallel version (MPI), running on     1 processors
>      Waiting for input...
>      Reading input from standard input
>
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      Error in routine  read_namelists (5010):
>       reading namelist control
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>
>
> Please may someone shed some light on to why this is the case, and if there is anything wrong with my input. ?
>
>
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>



-- 
------------------------------------------------------------------------------------------------------------
Yue-Wen FANG, PhD student
East China Normal University <http://english.ecnu.edu.cn/>, China
Japan Fine Ceramics Center, Japan
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