[Pw_forum] error epsilon calculation

[Said Asma]

Dear Quantum Espresso users,
I'm trying to find the optical properties using the epsilon.x.I calculated them with LDA approximation  and I want to correct them with HSE functional . My input is as follows :&inputpp
 outdir='/home/ipcms/said/scratch/',
 prefix='25rsh',
 calculation='eps',
/
&energy_grid
smeartype=’gauss’,
intersmear=0.136d0,
intrasmear=0.0d0,
wmax=30.0d0,
wmin=0.0d0,
nw=500,
shift=0.0d0,

when i change the parameters in the list energy grid, sometimes it displays the error : " Error in routine epsilon (1): reading namelist ENERGY GRID espresso"or it runs in an open loop.
Why such a problem occurs?
Any help would be appreciated.Best regards,Said AsmaFaculty of sciences MonastirTunisia


 
***********************************************Said Asma, PhD. LMCN,Faculté des sciences de Monastir,
Avenue de l'environnement 5019-Monastir,TunisieE-mail :saidasma1987 at yahoo.fr***********************************************
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150729/732a36e6/attachment.html>