# the default properties. these values can be overloaded by one of 
# ~/.chase/acvconfig, ~/.chase/chase.ini, ~/.piou or by the file specified from args.

# properties for 'input check'
inpcheck.band_tolerance_factor = 1.2
inpcheck.mass_tolerance_factor = 1.2
inpcheck.cpumax_warn = 10
inpcheck.tau_mass_factor=8
inpcheck.tau_ndiv=10
inpcheck.scf_criteria.phonon=1e-9
inpcheck.scf_criteria.md=1e-9
inpcheck.scf_criteria.stropt=1e-7
inpcheck.scf_criteria.scf=1e-6
inpcheck.ekconv_criteria=1e-4
inpcheck.kmesh_dk=0.2
inpcheck.cutoff_wf=20
inpcheck.lightest_mass=1000
inpcheck.bond_length_factor=0.6
inpcheck.max_fract_coord=2

# properties for 'geninp'
geninp.cutoff=12.5
geninp.aug_factor=9
geninp.kmesh_dk=0.2

geninp.scf_criteria.phonon=1e-9

geninp.scf_criteria.md=1e-9
geninp.scf_succession.md=1

geninp.scf_criteria.stropt=1e-9
geninp.scf_succession.stropt=1

geninp.scf_criteria.static=1e-6

geninp.stropt.method=bfgs
geninp.stropt.gdiis.initial=cg
geninp.stropt.gdiis.forc2gdiis=1e-1

geninp.neb.spring = 0.3
geninp.neb.thres =0.001

geninp.forcmx = 0.5e-3
geninp.band_tolerance_factor = 1.2
geninp.tau_mass_factor=12
geninp.tau_ndiv=15

geinp.david_lmm=256

# pp related properties
pp.default_pp_dir=$HOME/chase3pt-projects/data/pseudopotentials

# config
config.max_bond_length=8.5

