[Pw_forum] uniform grid

[Halima Zaari]

yes i know
i have alrady ask this question to the yambo forum.it seem that the error
is "core dumped" and " X grid is not uniform. Gamma point only"
so i think the problem came with the scf calculation using K-point 8 8 8
(automatic) to solve this problem
my be i tried to have "xgrid =uniform" so i ask help for that in this forum
thanks for your reply
&control
calculation = 'scf'
prefix='Ga'
pseudo_dir = '/home/halima/GaN',
outdir= '/home/halima/GaN'
wf_collect=.true.,
verbosity ='high',
tstress=.true.,
tprnfor=.true.,
/
&system
ibrav=4,celldm(1)=6.011,celldm(3)=1,62,celldm(4)=-0.5,nat=4, ntyp=2,
ecutwfc = 15,ecutrho = 240.0,
nosym = .false.,force_symmorphic = .True.
nbnd =10,
occupations='smearing', smearing='methfessel-paxton', degauss=0.03
/
&electrons
diago_full_acc=.true.,
conv_thr = 1.0d-8
!mixing_beta=0.3

/
ATOMIC_SPECIES
Ga 69.723 Ga.pbe-mt_fhi.UPF
N 14.007 N.pbe-mt_fhi.UPF
ATOMIC_POSITIONS
Ga 0.333333333 0.666666667 -0.003561202
Ga 0.666666667 0.333333333 0.496438798
N 0.333333333 0.666666667 0.378561202
N 0.666666667 0.333333333 0.878561202

K_POINTS automatic
8 8 8 1 1 1


2014-01-26 Lorenzo Paulatto <lorenzo.paulatto at impmc.upmc.fr>

> On 01/26/2014 06:41 PM, Halima Zaari wrote:
> > Dear quantum code users
> > i tried to use the Gw corection implemented in yambo code but i have
> > same problem with "core dumped"
>
> Dear Halima,
> there are a million possible causes that can cause a core dump. It is
> not even a Quantum-ESPRESSO error message, but an operating system
> message that can be caused that a dozen entire KINDS of different errors.
>
> If you want to get a meaningful answer please always provide:
>
> 1. a complete description of what you did down to every detail. Include
> input/output file, system consiguration make.sys file etc.
>
> 2. what you where trying to do and what you were expecting to get
>
> 3. what you actually go and why do you think it is different from what
> you were expecting
>
>
> I also helps a lot to ask a question to the right people: this is not a
> Yambo mailing list.
>
> best regards
>
>
> --
> Dr. Lorenzo Paulatto
> IdR @ IMPMC -- CNRS & Université Paris 6
> phone:+33 (0)1 44275 084 / skype: paulatz
> www:  http://www-int.impmc.upmc.fr/~paulatto/
> mail: 23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 5
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
H.ZAARI
PhD Student in laboratory of magnetism and physics of high energy
Faculty of Sciences in Rabat - Morocco
Email:
* halimazaari at gmail.com <boujnah.mourad at gmail.com>*
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