[QE-users] force constant calculations
kcsdayananda at yahoo.com
Fri Jan 4 12:31:20 CET 2019
Dear users and developers
I am new to QE mailing list. I sent this email one day ago. but could not see it is to the list. Thus I am resending
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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