Tangential to Peter's email, a comment. When you do an open core treatment,
you are a-priori deciding what the valence of the Ce is, and that the 4f
electrons are not relevant. These may or may not be valid assumptions. For
certain I think this is not valid for all Lanthanides, e.g.
You have to understand the meaning of the input in case.inc:
> 15 0.80 0 NUMBER OF ORBITALS (EXCLUDING SPIN), SHIFT, IPRINT
as the comment says, the "15" is the number of orbitals listed below. As
your input files has only 14 lines, you must have increased this already.
So what is missing
Dear Sir,
I am a beginner as far as WIEN2k and I joined Ph.D. recently. I want
to install WIEN2k software using Ubuntu Linux operating system(64 bit).
Ubuntu provides gfortran. So I tried to compile WIEN2k following the
instructions are given in wien2k userguide. During this process, a
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