Commit 8d8d699f authored by Mikkel Strange's avatar Mikkel Strange

atk test files

parent e08045bc
netcdf Water {
dimensions:
\3D = 3 ;
float = 1 ;
BulkConfiguration_gID000_dimension = 681 ;
BulkConfiguration_gID000_calculator_dimension = 4540 ;
BulkConfiguration_gID000_state_density_matrix_cellrepetitions_dim_0 = 3 ;
BulkConfiguration_gID000_state_density_matrix_unitcell_dim_0 = 4 ;
BulkConfiguration_gID000_state_density_matrix_unitcell_dim_1 = 3 ;
BulkConfiguration_gID000_state_density_matrix_upup_offset_dim_0 = 23 ;
BulkConfiguration_gID000_state_density_matrix_upup_indices_dim_0 = 276 ;
BulkConfiguration_gID000_state_density_matrix_upup_values_dim_0 = 276 ;
BulkConfiguration_gID000_state_hamiltonian_cellrepetitions_dim_0 = 3 ;
BulkConfiguration_gID000_state_hamiltonian_unitcell_dim_0 = 4 ;
BulkConfiguration_gID000_state_hamiltonian_unitcell_dim_1 = 3 ;
BulkConfiguration_gID000_state_hamiltonian_upup_offset_dim_0 = 23 ;
BulkConfiguration_gID000_state_hamiltonian_upup_indices_dim_0 = 276 ;
BulkConfiguration_gID000_state_hamiltonian_upup_values_dim_0 = 276 ;
BlochState_gID001_data_real_dim_0 = 154 ;
BlochState_gID001_data_real_dim_1 = 148 ;
BlochState_gID001_data_real_dim_2 = 158 ;
BlochState_gID001_data_imag_dim_0 = 154 ;
BlochState_gID001_data_imag_dim_1 = 148 ;
BlochState_gID001_data_imag_dim_2 = 158 ;
BlochState_gID001_cell_dim_0 = 3 ;
BlochState_gID001_cell_dim_1 = 3 ;
BlochState_gID001_origo_dim_0 = 3 ;
BlochState_gID001_boundary_conditions_dim_0 = 6 ;
BlochState_gID001_grid_values_spin_dim = 3 ;
BlochState_gID001_kpoint_dim_0 = 3 ;
BlochState_gID001_finger_print_dim = 24 ;
BlochState_gID001_spin_dim = 3 ;
BlochState_gID001_spin_type_dim = 1 ;
Bandstructure_gID002_kpoints_dim_0 = 21 ;
Bandstructure_gID002_kpoints_dim_1 = 3 ;
Bandstructure_gID002_lattice_dim = 174 ;
Bandstructure_gID002_route_dim = 3 ;
Bandstructure_gID002_keys_symmetry_points_dim = 15 ;
Bandstructure_gID002_values_symmetry_points_dim_0 = 8 ;
Bandstructure_gID002_values_symmetry_points_dim_1 = 3 ;
Bandstructure_gID002_finger_print_dim = 24 ;
Bandstructure_gID002_eigenvalues_up_dim_0 = 21 ;
Bandstructure_gID002_eigenvalues_up_dim_1 = 23 ;
TotalEnergy_gID003_finger_print_dim = 24 ;
variables:
double BulkConfiguration_gID000_state_density_matrix_unitcell(BulkConfiguration_gID000_state_density_matrix_unitcell_dim_0, BulkConfiguration_gID000_state_density_matrix_unitcell_dim_1) ;
double BulkConfiguration_gID000_state_hamiltonian_iscompact(float) ;
double BulkConfiguration_gID000_state_hamiltonian_upup_numcolumns(float) ;
char BulkConfiguration_gID000(BulkConfiguration_gID000_dimension) ;
double BulkConfiguration_gID000_state_hamiltonian_upup_values(BulkConfiguration_gID000_state_hamiltonian_upup_values_dim_0) ;
double BulkConfiguration_gID000_state_density_matrix_iscompact(float) ;
int BulkConfiguration_gID000_state_density_matrix_upup_indices(BulkConfiguration_gID000_state_density_matrix_upup_indices_dim_0) ;
double BulkConfiguration_gID000_state_hamiltonian_cellrepetitions(BulkConfiguration_gID000_state_hamiltonian_cellrepetitions_dim_0) ;
double BulkConfiguration_gID000_state_density_matrix_upup_numcolumns(float) ;
double BulkConfiguration_gID000_state_density_matrix_upup_values(BulkConfiguration_gID000_state_density_matrix_upup_values_dim_0) ;
double BulkConfiguration_gID000_state_density_matrix_cellrepetitions(BulkConfiguration_gID000_state_density_matrix_cellrepetitions_dim_0) ;
char BulkConfiguration_gID000_calculator(BulkConfiguration_gID000_calculator_dimension) ;
int BulkConfiguration_gID000_state_hamiltonian_upup_indices(BulkConfiguration_gID000_state_hamiltonian_upup_indices_dim_0) ;
double BulkConfiguration_gID000_state_electronic_entropy(float) ;
double BulkConfiguration_gID000_state_fermi_energy(float) ;
BulkConfiguration_gID000_state_fermi_energy:unit = "Hartree" ;
int BulkConfiguration_gID000_state_density_matrix_upup_offset(BulkConfiguration_gID000_state_density_matrix_upup_offset_dim_0) ;
int BulkConfiguration_gID000_state_hamiltonian_upup_offset(BulkConfiguration_gID000_state_hamiltonian_upup_offset_dim_0) ;
double BulkConfiguration_gID000_state_hamiltonian_unitcell(BulkConfiguration_gID000_state_hamiltonian_unitcell_dim_0, BulkConfiguration_gID000_state_hamiltonian_unitcell_dim_1) ;
double BlochState_gID001_data_real(BlochState_gID001_data_real_dim_0, BlochState_gID001_data_real_dim_1, BlochState_gID001_data_real_dim_2) ;
double BlochState_gID001_data_imag(BlochState_gID001_data_imag_dim_0, BlochState_gID001_data_imag_dim_1, BlochState_gID001_data_imag_dim_2) ;
double BlochState_gID001_cell(BlochState_gID001_cell_dim_0, BlochState_gID001_cell_dim_1) ;
double BlochState_gID001_origo(BlochState_gID001_origo_dim_0) ;
double BlochState_gID001_boundary_conditions(BlochState_gID001_boundary_conditions_dim_0) ;
double BlochState_gID001_data_unit(float) ;
BlochState_gID001_data_unit:unit = "1/Bohr**1.5" ;
char BlochState_gID001_grid_values_spin(BlochState_gID001_grid_values_spin_dim) ;
byte BlochState_gID001_up_component_is_sum(float) ;
char BlochState_gID001_spin_type(BlochState_gID001_spin_type_dim) ;
double BlochState_gID001_kpoint(BlochState_gID001_kpoint_dim_0) ;
double BlochState_gID001_quantum_number(float) ;
char BlochState_gID001_finger_print(BlochState_gID001_finger_print_dim) ;
char BlochState_gID001_spin(BlochState_gID001_spin_dim) ;
double Bandstructure_gID002_kpoints(Bandstructure_gID002_kpoints_dim_0, Bandstructure_gID002_kpoints_dim_1) ;
char Bandstructure_gID002_lattice(Bandstructure_gID002_lattice_dim) ;
char Bandstructure_gID002_route(Bandstructure_gID002_route_dim) ;
char Bandstructure_gID002_keys_symmetry_points(Bandstructure_gID002_keys_symmetry_points_dim) ;
double Bandstructure_gID002_values_symmetry_points(Bandstructure_gID002_values_symmetry_points_dim_0, Bandstructure_gID002_values_symmetry_points_dim_1) ;
char Bandstructure_gID002_finger_print(Bandstructure_gID002_finger_print_dim) ;
double Bandstructure_gID002_eigenvalues_up(Bandstructure_gID002_eigenvalues_up_dim_0, Bandstructure_gID002_eigenvalues_up_dim_1) ;
double Bandstructure_gID002_fermi_level(float) ;
Bandstructure_gID002_fermi_level:unit = "Hartree" ;
double Bandstructure_gID002_fermi_temperature(float) ;
Bandstructure_gID002_fermi_temperature:unit = "K" ;
double Bandstructure_gID002_spin_type(float) ;
double TotalEnergy_gID003_component_External-Field(float) ;
TotalEnergy_gID003_component_External-Field:unit = "eV" ;
double TotalEnergy_gID003_component_Exchange-Correlation(float) ;
TotalEnergy_gID003_component_Exchange-Correlation:unit = "eV" ;
double TotalEnergy_gID003_component_Kinetic(float) ;
TotalEnergy_gID003_component_Kinetic:unit = "eV" ;
double TotalEnergy_gID003_component_Electrostatic(float) ;
TotalEnergy_gID003_component_Electrostatic:unit = "eV" ;
double TotalEnergy_gID003_component_Entropy-Term(float) ;
TotalEnergy_gID003_component_Entropy-Term:unit = "eV" ;
char TotalEnergy_gID003_finger_print(TotalEnergy_gID003_finger_print_dim) ;
// global attributes:
:fingerprint_table = "382021237103147142131228:gID000#" ;
:_offsets = 4.16991405090012e-320, 6.6762102591236e-319, 3.95252516672997e-323, 1.11065957185112e-320, 2.24898681986935e-320, 5.92878775009496e-323, 6.25921885403358e-319, 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0. ;
:_names = "TotalEnergy_gID003_finger_print;BlochState_gID001_spin;BulkConfiguration_gID000_calculator;Bandstructure_gID002_keys_symmetry_points;BulkConfiguration_gID000_state_density_matrix_upup_values;Bandstructure_gID002_spin_type;BlochState_gID001_finger_print;Bandstructure_gID002_eigenvalues_up;BulkConfiguration_gID000_state_hamiltonian_upup_values;BulkConfiguration_gID000_state_density_matrix_upup_indices;BlochState_gID001_spin_type;BlochState_gID001_origo;TotalEnergy_gID003_component_Kinetic;BulkConfiguration_gID000_state_hamiltonian_unitcell;BlochState_gID001_up_component_is_sum;TotalEnergy_gID003_component_External-Field;BlochState_gID001_cell;BlochState_gID001_boundary_conditions;Bandstructure_gID002_route;TotalEnergy_gID003_component_Entropy-Term;BulkConfiguration_gID000_state_fermi_energy;Bandstructure_gID002_fermi_level;BulkConfiguration_gID000_state_density_matrix_upup_offset;BlochState_gID001_data_real;BlochState_gID001_data_imag;Bandstructure_gID002_fermi_temperature;BulkConfiguration_gID000_state_density_matrix_cellrepetitions;BlochState_gID001_quantum_number;BulkConfiguration_gID000_state_hamiltonian_cellrepetitions;BulkConfiguration_gID000_state_hamiltonian_upup_numcolumns;TotalEnergy_gID003_component_Exchange-Correlation;BulkConfiguration_gID000_state_density_matrix_iscompact;BulkConfiguration_gID000;TotalEnergy_gID003_component_Electrostatic;BulkConfiguration_gID000_state_hamiltonian_iscompact;BulkConfiguration_gID000_state_density_matrix_unitcell;BlochState_gID001_data_unit;BulkConfiguration_gID000_state_hamiltonian_upup_offset;Bandstructure_gID002_finger_print;BulkConfiguration_gID000_state_hamiltonian_upup_indices;Bandstructure_gID002_lattice;BlochState_gID001_grid_values_spin;BulkConfiguration_gID000_state_electronic_entropy;BulkConfiguration_gID000_state_density_matrix_upup_numcolumns;Bandstructure_gID002_kpoints;Bandstructure_gID002_values_symmetry_points;BlochState_gID001_kpoint" ;
:version = "ATK 2016.0.3" ;
:time = "File Created at Wed Aug 17 10:08:39 2016" ;
data:
}
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