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  program_restrictions

 

 

 
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program_restrictions

These are general restrictions to the program.

!-------------------------------------------------------!
$program_restrictions                         required  !
 min_dimension_domain               integer   required  !
 max_dimension_domain               integer   required  !
                                                        !
 
minimum-grid-factor                double    required  !
 maximum-grid-factor                double    required  !
                                                        !
 
delta-to-treat-grid-factor-as-one  double    required  !
                                                        !
 
minimum-grid-width                 double    required  !
 maximum-grid-width                 double    required  !
                                                        !
 
maximum-number-of-grid-points      integer   required  !
                                                        !
 
lowest-temperature-allowed         double    required  !
$end_program_restrictions                     required  !
!-------------------------------------------------------!

Syntax

min_dimension_domain              = 1
don't change, only 1 makes sense

max_dimension_domain              = 3
don't change, only 3 makes sense

 

minimum-grid-factor               = 0.1d0
be careful, geometric series grow up very rapidly

maximum-grid-factor               = 10.d0
be careful, geometric series grow up very rapidly

 

delta-to-treat-grid-factor-as-one = 1.0d-3
to avoid numerical inaccuracies, everything in the interval 1+/- delta is treated as 1

 

minimum-grid-width                = 0.01d0
only a guess, if violated a warning message is printed to standard output
Currently, this value is irrelevant and is ignored in the program, i.e. no warning message is printed.

maximum-grid-width                = 200d0
only a guess, if violated a warning message is printed to standard output
Currently, this value is irrelevant and is ignored in the program, i.e. no warning message is printed.

 

maximum-number-of-grid-points     = 1000000  ! 100 x 100 x 100
only a guess, if exceeded a warning message is printed to standard output

                                                        !
lowest-temperature-allowed        = 1.0d0
in Kelvin [K]

 

 

Question

Can I change the lattice-temperature to 0 Kelvin in the input file?

Answer

Modify the entry for lowest temperature allowed in database_nn3.in:

  !----------------------------------------------------------!
  $program_restrictions                                      !
   ...                                                       !
  !lowest-temperature-allowed = 1d0                          ! [K] (default entry)
   lowest-temperature-allowed = 0d0                          ! [K] <== new
  $end_program_restrictions                                  !
  !----------------------------------------------------------!
 

Enter in your input file:

  !----------------------------------------------------------!
  $global-parameters                                         !
  !lattice-temperature        = 300d0                        ! [Kelvin]
   lattice-temperature        = 0d0                          ! [Kelvin]
  $end_global-parameters                                     !
  !----------------------------------------------------------!