!Input file for the anaddb code. Analysis of the SiO2 DDB !Flags ifcflag 1 ! Interatomic force constant flag ifcout 0 !Wavevector grid number 1 (coarse grid, from DDB) brav 2 ! Bravais Lattice : 1-S.C., 2-F.C., 3-B.C., 4-Hex.) ngqpt 6 6 6 ! Monkhorst-Pack indices nqshft 1 ! number of q-points in repeated basic q-cell q1shft 3*0.0 !Interatomic force constant info dipdip 1 ! Dipole-dipole interaction treatment !Phonon band structure output for band2eps - See note near end for ! dealing with gamma LO-TO splitting issue. eivec 4 !Wavevector list number 1 (Reduced coordinates and normalization factor) nph1l 5 ! number of phonons in list 1 qph1l 0.0000 0.0000 0.0000 1.0 !(gamma point) 0.3750 0.3750 0.7500 1.0 !(K point) 0.5000 0.5000 1.0000 1.0 !(X point) 0.5000 0.5000 0.5000 1.0 !(L point) 0.5000 0.2500 0.7500 1.0 !(W point) !Wavevector list number 2 (Cartesian directions for non-analytic gamma phonons) nph2l 1 ! number of directions in list 2 qph2l 1.0 0.0 0.0 0.0 #%% #%% [setup] #%% executable = anaddb #%% [files] #%% files_to_test = #%% t70.abo, tolnlines = 0, tolabs = 0.0, tolrel = 0.0 #%% extra_inputs = t70.ddb.in.gz #%% [paral_info] #%% max_nprocs = 4 #%% [extra_info] #%% authors = Unknown #%% keywords = #%% description = #%% VN in FCC. Phonon analysis using ANADDB. #%%