Dear users and experts I want to calculate the second order interatomic force constant. In my system I have applied spin orbit coupling. In this case in ph.x the matdyn files are in xml format except matdyn0. So how do I write the q2r.in file? With the following q2r.in, it complains about matdyn0,
&INPUT fildyn='matdyn.xml', zasr='crystal', flfrc=' espresso.ifc2' / when fildyn='matdyn' , it complains about other matdyn1, matdyn2, etc... files. Can someone please help for this ? Thank you D.
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