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Computation of elastic constants


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  • From: blesgen@mis.mpg.de
  • To: forum@abinit.org
  • Subject: Computation of elastic constants
  • Date: Sun, 14 Dec 2003 20:27:09 +0100

Dear ABINIT community,
for Sphalerite (fcc) and Chalcopyrite (tetragonal, I-42D) I would like to get
a
quick guess of the elastic constants. The idea was to use new features of
ABINIT v4.2.2. The documentation and the help file for responses (Section 1)
promises that rigid-ion elastic constants can be computed automatically.
Unfortunately, after reading all the online help, the list of input variables,
steping through the tutorial and trying anaddb, I was not able to generate
this
data.

My question is hence: Could someone more experienced kindly tell me how to set
up the input file/how to generate this data?
For simplicity, start from t53.in from the tutorial.

With best regards,
--
Thomas Blesgen
Max-Planck-Institute for Mathematics in the Sciences
Inselstrasse 22-26
04109 Leipzig
Germany



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