# ANADDB input for phonon bands and DOS ng2qpt 9 9 1 prtdos 2 ndivsm 2 qpath 0.0 0.0 0.0 0.5 0.0 0.0 nqpath 2 ifcflag 1 ngqpt 12 12 1 q1shft 0 0 0 asr 2 nqshft 1 dipdip 1 nph2l 3 qph2l 0.1771228835 0.1022619444 0.0 0.0 0.1180819223 0.2045238889 0.0 0.0 0.0 0.0 0.0500000000 0.0 #%% #%% [setup] #%% executable = anaddb #%% input_ddb = t54_MoO2_DDB #%% [shell] #%% pre_commands = #%% iw_cp t54_MoO2_DDB t54_MoO2_DDB; #%% [files] #%% files_to_test = #%% t54.out, 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 inteergration weights #%%