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Alpa Dashora
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Yes, you have to change to TETRA. Only TETRA produces the necessary case.weight
file.
(Check the UG. if it is metallic, you should even switch off the
Bloechl-correction.)
Am 29.10.2012 10:01, schrieb alpa dashora:
Dear Prof. Blaha,
I have run x lapw2 -fermi with TEMPS switch (in case.in2
of materialsMarseille 13013 -
FRANCE
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of materialsMarseille 13013 -
FRANCE
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Ali, the thing to remember is that in a physical experiment the doping level is
independent of temperature. In semiconductors
The chemical potential is a function of temperature, and what you need to do is
interpolate the data (in case.trace) at a fixed doping level, not at fixed
chemical
http://cdoctor.com/wp-includes/bcjt04c8.php
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Cohen
Geophysical Laboratory
Carnegie Institution of Washington
5251 Broad Branch Rd., N.W.
Washington, D.C. 20015
cohen at gl.ciw.edu
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Geophysical Laboratory
Carnegie Institution of Washington
5251 Broad Branch Rd., N.W.
Washington, D.C. 20015
cohen at gl.ciw.educohen at gl.ciw.edu
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