# ANADDB input for phonon bands and DOS ng2qpt 9 9 9 ddb_filepath = "t52_mp-149_+0_DDB" output_file = "t52.output" prtdos 2 ndivsm 2 nqpath 2 qpath 0.0 0.0 0.0 0.5 0.0 0.5 asr 2 ngqpt 8 8 8 dipdip 1 ifcflag 1 nqshft 1 q1shft 0 0 0 nph2l 3 qph2l 0.0746462081 -0.1055656799 0.1292910252 0.0 0.0 0.0 0.1939365378 0.0 0.0746462081 0.0527828399 0.1292910252 0.0 #%% #%% [setup] #%% executable = anaddb #%% [shell] #%% pre_commands = #%% iw_cp t52_mp-149_+0_DDB t52_mp-149_+0_DDB; #%% [files] #%% files_to_test = #%% t52.output, tolnlines = 10, tolabs = 1.1, tolrel = 1.2e-1; #%% [paral_info] #%% max_nprocs = 24 #%% [extra_info] #%% authors = H. Miranda, M. Giantomassi #%% keywords = DFPT #%% description = #%% Test tolerance in the new integration weights #%%