Dear ouyang,
First of all, I am not expert regarding the same query, other can throw more
light on it.
I think the following link of Pw_forum may be helpful regarding the same query.
http://qe-forge.org/pipermail/pw_forum/2013-February/100965.html
Thanking you,
N. Y. Pandya
From:
QE.
Usually, when you just find the output cut at some point with no apparent
reason, it is not du to QE failure. Difficult to say more without further
information.
On which computer are you doing the calculation?
Giovanni
> On 01 Dec 2015, at 10:10, nirav msc <nirav_physic...@yahoo.com&
Hello everyone,
Kindly reply your suggestions or any help for the said problem.
Your help will be highly appreciated.
Thanking you,
Nirav Pandya,
Ph.D. Student
India- Forwarded Message -
From: nirav msc <nirav_physic...@yahoo.com>
To: PWSCF Forum <pw_forum@pwscf.or
Dear QE users and Developers,
I am trying to calculate the fermi surface for my system by following the steps
mentioned in example 8. I am using esspresso 5.0.2.
First I have done scf calculation, then generates the k-points by kvecs_FS.x
for preparing input file for nscf calculation and then
Dear QE users and Developers,
I am finding the problem during the vc-relax calculation of my material.
vc-relax calculation is going to hang after generating total energy for few
number of iterations and then after no further progress is observed in output
file of the calculation; while the
Dear QE Users and Developers,
I am using Quantum espresso version 5.0.2. While performing phonon
calculations, my run got interrupted leaving dyn3 calculations midway, i
resumed my calculations to finish dyn3 computations.
while continuing phonon calculations with q2r.x I got the following
