Dear WIEN2k developers,
Could anyone please explain to me the role of spin-orbit in L2,3(or M4,5)
ELNES calculations? Inparticular, suppose I am trying to get L2,3 ELNES of
non-magneticcompounds.
Does ELNES know about spin-orbit coupling and L2 vs. L3? In otherwords, how
can I get the cor
Dear WIEN2k developers,
Could anyone please explain to me the role of spin-orbit in L2,3 (or M4,5)
ELNES calculations? In particular, suppose I am trying to get L2,3 ELNES of
non-magnetic compounds.Does ELNES know about spin-orbit coupling and L2 vs. L3?
In other words, how
can I get the corre
Most common problem is use of the wrong version of blacs -- which the Intel
link advisor will provide information about.
I have very, very rarely seen anything beyond a wrong version of blacs.
On Sun, Jan 10, 2016 at 6:27 PM, Gavin Abo wrote:
> From the backtrace, it does look like it crashed i
From the backtrace, it does look like it crashed in libmpi.so.1, which
I believe is an Open MPI library. I don't know if it will solve the
problem or not, but I would try a different Open MPI version or
recompile Open MPI (while tweaking the configuration options [
https://software.intel.com/e
(I accidentally replied with a wrong title. To ensure consistency, I send this
post again. Maybe the mail list manager can delete the wrong post for me^)
Hi, Peter:
Thank you very much for your reply. By following your suggestion, I unified the
version of all the library to be compiled or cons
Hi, Peter:
Thank you very much for your reply. By following your suggestion, I unified the
version of all the library to be compiled or consistent with intel composer xe
2015 (MKL, fftw, openmpi etc.) and recompiled wien2k. The version of my openmpi
is 1.6.5. However, I still get the same probl
a) Clearly, for a nanowire simulation the mpi-parallelization is best.
Unfortunately, on some clusters mpi is not set-up properly, or users do
not use the proper mkl-libraries for hthe particular mpi. Please use the
Intel link-library advisor, as was mentioned in previous posts.
The mkl-scalapac
Dear Brik
What you found is usual and is simply the signature of a high absorption in
this high energy region.
Indeed, a simple way to understand the negative value of eps1 is to look at the
following relation:
eps1 = n^2 - k^2
with n the real part and k the imaginary part of the complex refr
8 matches
Mail list logo