Dear all,
I can no longer make "runSCF" because of a password problem. The reason may be
that my Ubuntu has been automatically updated to include some extra security.
Therefore, I consult User's Guide 11.3.1 about firewalls.
I use a single PC. The terminal window of my home directory shows
"Pen
Hi John
One question:
Do you have this problem only for w2web?
or
Do you have this problem running from shell?
Regards
Ricardo
-
Dr. Ricardo Faccio
Prof. Adjunto de F?sica
Mail: Cryssmat-Lab., C?tedra de F?sica, DETEMA
One comment: capital letters in computer/user names create chaos, the
unix philosophy is to ALWAYS use lower case for these. You may be able
to get around this by using the IP number (instead of Penelope),
localhost or 127.0.0.1. However, other things in the OS may be broken
and it is probably safe
Dear Wien2k community, dear Prof. Blaha,
What is the meaning of the lattice vectors G for local orbitals? The local
orbitals have nothing to do
with the plane waves that are characterized by G, but still when the expansion
coefficients
for the eigenvectors are made written in case.output1, one c
The LOs are connected to ONE SINGLE plane wave in order to guarantee symmetry
constrains
(eg. the LO for Si at the first site must be symmetrized and have inversion
symmetry for
the Si atom at the equivalent site.
Note, that am Alm(G) in LAPW is connected to ALL G vectors and the G-vector
deter
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