Hello Youngboem,
it would be useful to include the band structure plots from your attempts.
Otherwise it is hard to guess what went wrong.
Also, before plotting, it will be helpful to look at a part of the output that
contains the Bloch spectrum weights for the conduction band maximum and the
ld: cannot find -lmkl_scalapack_lp64
In particular, it cannot find the scalapack library file
(libmkl_scalapack_lp64.so). Your environment variables are probably set
correctly, else you would probably have more errors. The
libmkl_scalapack_lp64.so used to be installed by default, but they
ld: cannot find -lmkl_scalapack_lp64
means that the linker cannot find a library, please check your setup of the
frortran compiler and mkl
and check your envronment variables: LD_LIBRARY_PATH
with siteconfig_lapw check the settings for: LDFLAGS, R_LIBS, and RP_LIBS
the path should be everywhere
Clearly your solution isfold2bloch.
If you don't like the plot, you have to modify this part yourself and
make a different plot, but fold2bloch captures all the relevant physics
which happens due to doping. Doping may lead to a "broadening" of bands
when you introduce alloying (and
Hi. I can solve many technical problems by all your helps. Thank you
very much..!
Now new problem emerged in front of me.
Very simple problem but unfortunately, it's too hard to solve for me.
"How can I unfold the band structure made in 2x2x2 or some structure by
'supercell'? (without
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