[QE-users] 2nd order IFC for FM system
    jayangani ranasinghe 
    jayanganir at yahoo.com
       
    Wed May 22 12:05:51 CEST 2019
    
    
  
Dear QE community
I want to calculate ifc2 file for a FM system. Can you please me know the necessary parameters for the ph.in and q2r.in files. Are there any changes for metallic systems,?
Or are they the same format as for NM systems? 
(I have these two files and wanted to know the changes)
ph.in  scf
    &INPUTPH
       prefix = 'UMo',
        ldisp = .true.,        fildrho = 'fildrho',
        fildvscf = 'fildvscf',
        recover=.true.
       nq1 = 2 , nq2 = 2 , nq3 = 2
     /
q2r.in
 &INPUT
        fildyn='matdyn',
        zasr='crystal',
        flfrc=' espresso.ifc2'
    /
Thank you 
  
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