!Input file for the ifc code. Analysis of the Al DDB !Flags ifcflag 1 ! Interatomic force constant flag thmflag 0 thmtol 0.15 dostol 0.15 nchan 1600 nwchan 5 ntemper 40 temperinc 20. tempermin 10. ng2qpt 3*8 ngrid 4 atftol 0.05 !Effective charges asr 0 ! Acoustic Sum Rule. 1 => imposed asymetrically enunit 0 !Interatomic force constant info dipdip 1 ! Dipole-dipole interaction treatment ifcana 0 ! Analysis of the IFCs # ifcout 20 ! Number of IFC's written in the output, per atom # natifc 12 ! Number of atoms in the cell for which ifc's are analysed # atifc 1 2 3 4 5 6 7 8 9 10 11 12 ! List of atoms !Wavevector grid number 1 (coarse grid, from DDB) brav 1 ! Bravais Lattice : 1-S.C., 2-F.C., 3-B.C., 4-Hex.) ngqpt 0 0 0 !1 1 1 ! Monkhorst-Pack indices nqshft 0 ! number of q-points in repeated basic q-cell q1shft 0.0 0.0 0.0 #0.5 0.5 0.5 !Wavevector list number 1 (Reduced coordinates and normalization factor) nph1l 5 ! number of phonons in list 1 qph1l 0.0556 0.0556 0.0556 1 0.1667 0.0556 0.0556 1 0.2778 0.0556 0.0556 1 0.3889 0.0556 0.0556 1 0.5000 0.0556 0.0556 1 eivec 3