# General informations #********************** rfmeth 1 enunit 0 eivec 0 chneut 0 selectz 0 !Wavevector grid number 1 (coarse grid from DDB) brav 1 ngqpt 2 2 2 nqshft 1 q1shft 3*0.0 !Wavevector list number 1 (Reduced coordinates and normalization factor) nph1l 8 qph1l 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.0 2.50000000E-01 0.00000000E+00 0.00000000E+00 1.0 5.00000000E-01 0.00000000E+00 0.00000000E+00 1.0 2.50000000E-01 2.50000000E-01 0.00000000E+00 1.0 5.00000000E-01 2.50000000E-01 0.00000000E+00 1.0 -2.50000000E-01 2.50000000E-01 0.00000000E+00 1.0 5.00000000E-01 5.00000000E-01 0.00000000E+00 1.0 -2.50000000E-01 5.00000000E-01 2.50000000E-01 1.0 # Flags #******* ifcflag 1 prtddb 1 dieflag 0 thmflag 0 nlflag 0 #%% #%% [setup] #%% executable = anaddb #%% test_chain = t61.in, t62.in, t63.in, t64.in, t65.in #%% input_ddb = t62o_DDB #%% [files] #%% files_to_test = #%% t64_DDB, tolnlines = 4, tolabs = 2.000e-08, tolrel = 1.000e-6 #%% [paral_info] #%% max_nprocs = 1 #%% [extra_info] #%% authors = G. Antonius #%% keywords = ddb #%% description = #%% Diamond structure. #%% Interpolation of the DDB from a 2x2x2 q-points grid #%% onto a 4x4x4 q-points grid using the interatomic force constants. #%%