7.2. 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 \(f_{ij}\).

  mode : UHFr [warning]

• FATAL: Ne= value . Ne should be even for calculating fij

  description : Ne must be an even number for the calculation of \(f_{ij}\).

  mode : UHFr [warning]

• NOT IMPLEMENTED: Sz even and Sz != 0: this case will be implemented in near future

  description : the calculation of \(f_{ij}\) 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]