Date: Sat, 23 Mar 2024 21:00:35 +0100
From: Lorenzo Paulatto
To:
Subject: Re: [QE-users] open_grid.x with ibrav =4 error
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After generating k points grid with open_grid.x, when i do pw2wan, i
encounter an error like
numk=
Dear Sir/Madam,
After generating k points grid with open_grid.x, when i do pw2wan, i
encounter an error like
numk= 144 iknum= 38
%%
Error in routine pw2wannier90 (144):
Wrong number of k-poi
Respected Sir,
With due respect, i would like to ask whether it is possible to evaluate
chern number (Z2 invariant) from bands.x output file ?
Looking forward to your kind response.
Warm regards
Saransha Mohanty
Tezpur University
India
* * * D I S C L A I M E R * * *
This e-mail may contain
Dear QE Developers,
Wishing you a very Happy New Year 2022. May this Year bring you happiness
and prosperity.
Thank you.
Saransha Mohanty
Research Scholar
Tezpur University, India
* * * D I S C L A I M E R * * *
This e-mail may contain privileged information and is intended solely for the
Dear Developers,
Why does the open_grid.x calculation stops with an error message like this "
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= RANK 0 PID 205694 RUNNING AT cn047
= KILLED BY SIGNAL: 9 (Ki
Respected Sir/Madam,
How could we assign weights to q-points in lambda.in file? As the system
is having ibrav=0, kpoints.x execution will not produce any mesh_k. Please
help. Can we assign equal weights to each q points or any other procedure
is there. Waiting for your kind response.
Thanking you
Okay Sir. Thank you so much.
Sincerely
Saransha Mohanty
Research Scholar,
Tezpur University, Assam,India.
_---
> Dear Saransha,
> it is just a very large number that cannot fit in the column space and is
> replaced by "**
Hello,
I am doing optical propeties calculation for hetero structures using
epsilon.x
However, using epsilon.x for optical properties, when i set wmin= 0.0d0,
in espr.dat file for 0. energy i dnt get any number.I got stars
*** instead of number in real part corresponding to 0.000. For
imagi
