Dear Paolo,
Thank you very much for your reply. I check for the memory. You are
right. During the calculation, only few memory is need. But at the end of
the calculation (just after the convergence of scf), the demand of memory
suddenly increased greatly and the job stopped then. Only 14 atoms in
Hi, everyone,
I am doing some calculations on electron-phonon coupling. I encountered the
following problem.
ph.x program stops at the "electron-phonon interaction ..." and the only error
information I got is :
forrtl: severe (71): integer divide by zero
Image PC
Dear forum users,
I'm fairly new to quantum espresso, but I swear I have looked everywhere
for an answer to my problem. I'm trying to do a band structure calculation
of ZnO and use SIC-LDA that way it corrects the orbital energies of Zn and
O to give a realistic bandgap. Unfortunately every time I
Very likely reason: too much memory required
Paolo
Il 02/feb/2017 05:35 PM, "Hongsheng Liu" ha
scritto:
> Dear all,
> I'm trying to do a HSE scf calculation for bulk magnetite with PWSCF
> v.5.4.0. However, the calculation failed just after the convergence of scf
> with the error message as b
Dear all,
I'm trying to do a HSE scf calculation for bulk magnetite with PWSCF
v.5.4.0. However, the calculation failed just after the convergence of scf
with the error message as below,
'convergence has been achieved in 14 iterations
APPLICATION TERMINATED WITH THE EXIT STRING: Killed (sign
Dear ALL,
I 'm want to compute charge density at specific k-points and have came across
this post:
http://qe-forge.org/pipermail/pw_forum/2013-May/101699.html
and further this blog article (google translated):
https://translate.google.com/translate?hl=en&sl=zh-CN&tl=en&u=http%3A%2F%2Fblog.
