# ANADDB input for phonon bands and DOS ng2qpt 10 10 10 prtdos 2 qpath 0.0 0.0 0.0 0.5 0.0 0.0 ndivsm 2 nqpath 2 ngqpt 7 7 7 nqshft 1 dipdip 1 ifcflag 1 asr 2 q1shft 0 0 0 qph2l 0.0383564741 -0.1444999212 -0.0784758465 0.0 0.0767129481 0.0 0.0118970700 0.0 0.0261860039 -0.0986502435 -0.1688487631 0.0 nph2l 3 #%% #%% [setup] #%% executable = anaddb #%% input_ddb = t53_mp-14437_DDB #%% [shell] #%% pre_commands = #%% iw_cp t53_mp-14437_DDB t53_mp-14437_DDB; #%% [files] #%% files_to_test = #%% t53.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 #%%