I cannot see the posts, but let me add that there is another way to get
things so badly wrong. It is when you create a density using one set of
parameters, particularly RMTs, then change the case.struct files and run.
Also if you create a density with one set of atoms, move them yourself and
run.
Your message is too large. You have to remove older postings when you
reply to keep the size at a minimum. Do not use html in your mailer
options .
:CHA : TOTAL VALENCE CHARGE INSIDE UNIT CELL = 16.00
is ok. The large
:NEC01: NUCLEAR AND ELECTRONIC CHARGE 28.025.64125
ca
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