!Input file for the anaddb code. Analysis of the AlAs DDB !Flags ifcflag 1 ! Interatomic force constant flag !Wavevector grid number 1 (coarse grid, from DDB) brav 2 ! Bravais Lattice : 1-S.C., 2-F.C., 3-B.C., 4-Hex.) ngqpt 4 4 4 ! 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 ifcana 1 ! Analysis of the IFCs ifcout 20 ! Number of IFC's written in the output, per atom natifc 1 ! Number of atoms in the cell for which ifc's are analysed atifc 1 ! List of atoms #%% #%% [setup] #%% executable = anaddb #%% test_chain = trf2_1.in, trf2_3.in, trf2_4.in, trf2_5.in, trf2_6.in, trf2_7.in #%% input_ddb = trf2_3.ddb.out #%% [files] #%% files_to_test = #%% trf2_4.out, tolnlines= 0, tolabs= 0.000e+00, tolrel= 0.000e+00, fld_options=-easy #%% [paral_info] #%% max_nprocs = 1 #%% [extra_info] #%% authors = X. Gonze #%% keywords = #%% description = !Input file for the anaddb code. Analysis of the AlAs DDB #%%