[Q-e-developers] Your thoughts on a software development idea
Gabriele Mogni
gabriele.mogni at gmail.com
Fri Mar 3 14:23:54 CET 2017
Dear Quantum Espresso developers,
I just wanted to kindly ask you your opinion on one of my project
software ideas based on Quantum Espresso which I've described in the
attachment. My idea basically consists in creating a very simple and
effective program which is capable of calculating the most common
material properties starting simply from the chemical formula of the
repeating unit of the crystal structure under consideration and
predicting the most stable crystal structure as a function of the
applied external pressure. Offering a very simple graphical user
interface and "hiding" all the most complicated and technical aspects of
the DFT method, this program could be adequate for quite a general and
non-specialist audience, contrary to the majority of existing software
such as those by QuantumWise, SCM or Material Design. Thank you very
much for any advice or information that you can give me, and please let
me know if the Quantum Espresso consortium would be interested in
collaborating with me on such a project.
Best regards,
Dr. Gabriele Mogni
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