[QE-users] second order force constant
kcsdayananda at yahoo.com
Thu Jan 3 19:27:59 CET 2019
Dear users and developers
I need to calculate the second/third order force constant for a magnetic system, (ferromagnetic). Is it possible with Quantum espresso? I searched in the information for ph.x, and couldn't find any related parameters.
If I do scf.in including nspin=2 and starting magnetization and then the ph.x as normal way, will this give what I want?
Thank you for your time
ShayamPhD candidateUof Regina,ca
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