List of error messages ====================== - ``mode is not defined in [mode].`` **description :** ``mode`` parameter is missing in ``[mode]`` section of the input parameter file. **mode :** main - ``Get_param: key must be mod or ham or output.`` **description :** unsupported keyword is given to ``get_param()``. **mode :** UHFr (read_input) - ``duplicate items found in`` *file* **description :** the file *file* contains duplicate entries. **mode :** UHFr (read_input) - ``incorrect number of lines in`` *file* ``: expected=`` *N* ``, found=`` *M* **description :** number of lines of the input file does not match the description in the file. **mode :** UHFr (read_input) - ``Unknown keyword`` *keyword* **description :** unsupported keyword is found in ``[file.input.interaction]``. **mode :** UHFk (read_input_k) - ``initial and initial_uhf can not be specified simultaneously.`` **description :** ``initial`` and ``initial_uhf`` cannot be specified simultaneously. **mode :** UHFk (read_input_k) - ``read_input_k: file`` *file* ``not found`` **description :** the file *file* cannot be found. **mode :** UHFk (read_input_k) - ``Get_param: key must be mod or ham or output.`` **description :** unsupported keyword is given to ``get_param()``. **mode :** UHFk (read_input_k) - ``read_geom: file`` *file* ``not found`` **description :** the file *file* specified by ``Geometry`` keyword cannot be found. **mode :** UHFk (wan90) - ``mode.param.2Sz must be even(odd) when Ncond is even(odd).`` **description :** even/odd mismatch between ``2Sz`` and ``Ncond``. **mode :** solver base - ``range check for`` *type* ``failed.`` **description :** the value of *type* is not appropriate. **mode :** UHFk - ``_check_cellsize failed. interaction range exceeds cell shape.`` **description :** some of translation vectors of the interaction description do not lie within the CellShape. **mode :** UHFk - ``Hermiticity check failed: |T_ba(-r)^* - T_ab(r)| =`` *val* **description :** Transfer term is not Hermite. **mode :** UHFk - ``Parameter range check failed for param_mod.`` **description :** the parameter value in [mode.param] is out of range. **mode :** solver base - ``Parameter check failed for param_mod.`` **description :** the parameter value in [mode.param] is inappropriate. **mode :** solver base - ``Hermite check failed for`` *type* **description :** *type* is not Hermite. **mode :** UHFr - ``Parameter check failed for info_mode.`` **description :** the parameter value in [mode] is inappropriate. **mode :** solver base - ``value not integer`` **description :** the parameter value is not an integer. **mode :** RPA - ``Lattice initialization failed: 'CellShape' not found.`` **description :** ``CellShape`` is missing in [mode.param]. **mode :** RPA - ``Ncond must be greater than zero: Ncond=`` *Ncond* **description :** the value of ``Ncond`` is not appropriate. **mode :** RPA - ``Nmat must be greater than zero: Nmat=`` *Nmat* **description :** the value of ``Nmat`` is not appropriate. **mode :** RPA - ``RPA._find_mu: not converged. abort`` **description :** the calculation of ``mu`` does not converge. **mode :** RPA - ``SubShape is not compatible with CellShape.`` **description :** the value of SubShape does not divide that of CellShape. **mode :** RPA - ``T must be greater than or equal to zero: T=`` *T* **description :** the value of ``T`` is not appropriate. **mode :** RPA - ``both mu and Ncond or filling are specified`` **description :** ``mu` and ``Ncond`` or ``filling`` should not specified simultaneously. **mode :** RPA - ``dimension of CellShape must be one, two, or three.`` **description :** the dimension of ``CellShape`` is not appropriate. **mode :** RPA - ``dimension of SubShape does not match with that of CellShape.`` **description :** the dimension of ``SubShape`` is not appropriate. **mode :** RPA - ``invalid CellShape.`` **description :** the value of ``CellShape`` is not appropriate. **mode :** RPA - ``invalid SubShape.`` **description :** the value of ``SubShape`` is not appropriate. **mode :** RPA - ``none of mu, Ncond, nor filling is specified`` **description :** one of ``mu``, ``Ncond``, or ``filling`` should be specified. **mode :** RPA - ``read_chi0q failed:`` *info* **description :** reading ``chi0q`` from file was not successful. **mode :** RPA - ``round_to_int: unknown mode`` *mode* **description :** unsupported rounding mode is specified. **mode :** RPA - ``unexpected data size`` *error* **description :** data size is not as expected. **mode :** RPA - ``mode is not defined in [mode].`` **description :** the ``mode`` parameter is missing in ``[mode]``. **mode :** RPA - ``orbital index check failed for`` *type* **description :** the indices of the orbitals are inappropriate. **mode :** UHFk - ``initial green function in coord space requires geometry.dat`` **description :** ``geometry.dat`` must also be specified when the coordinate space Green's function. **mode :** UHFk - ``CellShape is missing. abort`` **description :** ``CellShape`` parameter is missing. **mode :** UHFk - ``Ncond or Nelec is missing. abort`` **description :** ``Ncond`` or ``Nelec`` parameter is missing. **mode :** UHFk - ``SubShape is not compatible with CellShape. abort`` **description :** the value of ``SubShape`` does not divide that of ``CellShape``. **mode :** UHFk - ``_check_orbital_index failed. invalid orbital index found in interaction definitions.`` **description :** the indices of the orbitals in interaction definition files are inappropriate. **mode :** UHFk - ``_save_greenone: onebodyg_uhf and geometry_uhf are required`` **description :** ``onebodyg_uhf`` and ``geometry_uhf`` are not provided. **mode :** UHFk - ``find mu: not converged. abort`` **description :** the calculation of ``mu`` does not converge. **mode :** UHFk - ``range check failed for Initial`` **description :** the values of ``Initial`` are inappropriate. **mode :** UHFr - ``OneBodyG is required to output green function.`` **description :** ``OneBodyG`` is missing for the output of Green's function. **mode :** UHFr - ``hermite check failed for Initial`` **description :** ``Initial`` is not Hermite. **mode :** UHFr - ``Range check failed for Transfer`` **description :** the indices of ``Transfer`` definition file are out of range. **mode :** UHFr - ``Range check failed for`` *type* **description :** the indices of *type* definition file are out of range. **mode :** UHFr - ``parameter range check failed.`` **description :** the value of the parameter is not appropriate. **mode :** UHFr - ``mode is incorrect: mode=`` *mode* **description :** ``mode`` parameter is not appropriate. **mode :** UHFr - ``mode.param.`` *key* ``must be greater than`` *value* **description :** the value of parameter *key* in [mode.param] is inappropriate. **mode :** solver base [warning] - ``"mode.param.`` *key* ``must be smaller than`` *value* **description :** the value of parameter *key* is [mode.param] is inappropriate. **mode :** solver base [warning] - ``mode.param.`` *key* ``is not defined.`` **description :** parameter *key* is not found in [mode.param]. **mode :** solver base [warning] - ``mode.`` *key* ``in mode section is incorrect:`` *values* **description :** ``mode`` parameter in ``[mode]`` section is not valid. **mode :** solver base [warning] - ``mode.`` *key* ``is not defined.`` **description :** ``mode`` parameter is not found in ``[mode]`` section. **mode :** solver base [warning] - ``TRUST-ME mode enabled. parameter checks are relaxed`` **description :** ``TRUST-ME`` mode is enabled. the parameter checks will be omitted. **mode :** solver base [warning] - ``value not integer`` **description :** the specified value is not an integer. **mode :** RPA [warning] - ``mode is incorrect: mode=`` *mode* **description :** ``mode`` parameter is not valid. **mode :** RPA [warning] - ``FATAL: 2Sz=`` *value* ``. 2Sz should be even for calculating fij`` **description :** ``2Sz`` must be an even number for the calculation of :math:`f_{ij}`. **mode :** UHFr [warning] - ``FATAL: Ne=`` *value* ``. Ne should be even for calculating fij`` **description :** ``Ne`` must be an even number for the calculation of :math:`f_{ij}`. **mode :** UHFr [warning] - ``NOT IMPLEMENTED: Sz even and Sz != 0: this case will be implemented in near future`` **description :** the calculation of :math:`f_{ij}` is not yet supported when ``Sz`` is an even number except zero. **mode :** UHFr [warning] - ``key`` *key* ``is wrong!`` **description :** the keyword *key* is invalid. **mode :** UHFr [warning] - ``UHFr calculation is failed: rest=`` *residue* ``, eps=`` *eps* **description :** the calculation of UHFr does not converge. **mode :** UHFr [warning]