mirror of https://github.com/abinit/abinit.git
56 lines
1.7 KiB
Plaintext
56 lines
1.7 KiB
Plaintext
##############################################################################
|
|
#Test for multibinit, just read xml and generate the effective potential into XML file
|
|
# without regeneration of dipole-dipole just reading xml
|
|
##############################################################################
|
|
prt_model = 0
|
|
|
|
dynamics = 101 # Velocity Verlet NVE
|
|
ncell = 6 6 6
|
|
temperature = 50
|
|
ntime = 1000
|
|
nctime = 10
|
|
dtion = 10
|
|
|
|
spin_dynamics=2 # Langevin NVT
|
|
spin_init_state = 1
|
|
spin_init_orientation = 0.0 0.0 1.0
|
|
spin_init_qpoint = 0.5 0.5 0.5
|
|
spin_init_rotate_axis = 1.0 0.0 0.0
|
|
spin_mag_field= 0.0 0.0 0.0
|
|
spin_temperature = 50
|
|
spin_ntime =1000
|
|
spin_nctime=10
|
|
spin_dt= 2.41888e-16 s
|
|
spin_projection_qpoint = 0.5 0.5 0.5
|
|
spin_write_traj=1
|
|
spin_damping=0.0
|
|
|
|
slc_coupling = 1010 # Tijuv and Oiju
|
|
|
|
randomseed=111111 # for testing only
|
|
|
|
|
|
#%%<BEGIN TEST_INFO>
|
|
#%% [setup]
|
|
#%% executable = multibinit
|
|
#%% need_cpp_vars = HAVE_NETCDF
|
|
#%% exclude_builders = .*_nag_7.[012]_.*
|
|
#%% spin_pot = t83.nc
|
|
#%% latt_pot = t83.nc
|
|
#%% slc_pot = t83.nc
|
|
#%% exec_args = --F03
|
|
#%% [files]
|
|
#%% files_to_test =
|
|
#%% t87.abo, tolnlines = 8, tolabs = 0.3, tolrel = 0.7, fld_options = -medium;
|
|
#%% [paral_info]
|
|
#%% max_nprocs = 1
|
|
#%% [extra_info]
|
|
#%% authors = X. He
|
|
#%% keywords = Effective potential, multibinit, spinpot, lattpot
|
|
#%% description =
|
|
#%% read netcdf and run coupled spin lattice dynamics. Oiju terms and Tijuv terms are both activated.
|
|
#%% Disabled on nag@alps because integer overflow (-C=intovf option of NAG compiler)
|
|
#%% is detected, which is needed by the random number generator.
|
|
#%% The random number generator in in 28_numeric_noabirule/m_random_xoroshiro128plus.F90
|
|
#%%<END TEST_INFO>
|