# ndtset 1 optdriver 7 eph_task 0 getddb_filepath "test_submodule/mgb2_121212k_0.01tsmear_DDB" ddb_ngqpt 4 4 4 dipdip 0 # No treatment of the dipole-dipole part. OK for metals # Dataset 1: GS calculation ngkpt 18 18 18 nshiftk 1 shiftk 0.0 0.0 0.0 # This choice preserves the hexagonal symmetry of the grid occopt 4 # Marzari smearing tsmear 0.03 tolvrs 1.0d-10 #Dataset 2: Band structure calculation. #iscf2 -2 #getden2 1 #kptopt2 -5 #tolwfr2 1.0d-8 #ndivsm2 10 # #kptbounds2 # 0.0 0.0 0.0 # Gamma # 0.5 0.0 0.0 # M # 1/3 1/3 0.0 # K # 0.0 0.0 0.0 # Gamma # 0.0 0.0 0.5 # A # 0.5 0.0 0.5 # L # #1/3 1/3 0.5 # H #COMMON INPUT DATA########################################################### ecut 14.0 nband 8 # MgB2 structure structure "abivars:test_submodule/mgb2.ucell" pp_dirpath "$ABI_PSPDIR" pseudos "PseudosTM_pwteter/12mg.pspnc, 05b.soft_tm" #%% #%% [setup] #%% executable = abinit #%% test_chain = teph4isotc_1.in #%% [files] #%% use_git_submodule = test_submodule #%% files_to_test = #%% teph4isotc_1.out, tolnlines= 10, tolabs= 3.000e-02, tolrel= 6.000e-03 #%% [paral_info] #%% max_nprocs = 2 #%% [extra_info] #%% authors = M. Giantomassi #%% keywords = NC, DFPT, EPH #%% description = #%% Computation of isotropic Migdal-Eliashberg Tc #%%