Hi,
I have arrived to a point where I am ready to submit the test job. I created
the job using w2web. The problem is I am using PBS for all of my jobs. Is there
an option to submit to PBS que straight from the w2web dialog? I am pretty sure
there is but I am novice at WIEN2k.
If there is no w
For the 2 structures below, the result should be the same.
as in space group 216 the change of the atoms in positions 4a, 4b with those
on 4c,4d
results in the same symmetry (all positions have Td symmetry)
Occupying 4a,4b or 4c,4d (like you gave below) with the same species will
always result i
tern University
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> Electron crystallography is the branch of science that uses electron
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Hello,
the position (1/4, 1/4, 1/4) has eightfold symmetry in space group 225, one of
the equivalent positions being (3/4, 3/4, 3/4).
Thus, Fe should only be specified once - does this solve the problem?
Best regards
Michael
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Please download the very latest version from the web page and compile
it -- to ensure that this is not an issue (some updates go directly
onto the web page prior to a new release). This will remove
ambiguities so we know exactly what you are using. If there is still a
problem and you cannot cure it
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