INTERACTION_POTENTIAL

Parameters the interaction potential in computing the biel integrals [Edit on GitHub]

Keywords

Keyword descriptions

OMEGA: real = 5.00000000E-001

Usage: OMEGA 0.5

Range separation parameter for the longrange or shortrange potential. Only valid when longrange or shortrange potential is requested. [Edit on GitHub]

POTENTIAL_DATA: string = t_sh_p_s_c.dat

Aliases: TSHPSC_DATA ,T_C_G_DATA

Usage: TShPSC_DATA t_sh_p_s_c.dat

Location of the file TShPSC.dat or t_c_g.dat that contains the data for the evaluation of the evaluation of the truncated potentials [Edit on GitHub]

POTENTIAL_TYPE: enum = COULOMB

Usage: POTENTIAL_TYPE TSHPSC

Valid values:

  • COULOMB Coulomb potential: 1/r

  • TSHPSC TShPSC:

    • 1/x - s/Rc for x ≤ Rc
    • (1 - s)/Rc - (x - Rc)/Rc^2 + (x - Rc)^2/Rc^3 - (2n^2 - 7n + 9 - 4s)(x - Rc)^3/(Rc^4*(n^2 - 2n + 1)(n - 1)) + (6-3s - 4n + n^2)(x - Rc)^4/(Rc^5(n^4 - 4n^3 + 6n^2 - 4n + 1)) for Rc < x ≤ nRc (4th order polynomial)
    • 0 for x > n*Rc

  • LONGRANGE Longrange Coulomb potential: erf(w*r)/r)

  • SHORTRANGE Shortrange Coulomb potential: erfc(w*r)/r

  • TRUNCATED Truncated Coulomb potential

  • MIX_CL Mixed Coulomb/Longrange Coulomb potential

  • IDENTITY Delta potential

Which interaction potential should be used (Coulomb, TShPSC operator). [Edit on GitHub]

SCALE_COULOMB: real = 1.00000000E+000

Usage: OMEGA 0.5

Scaling factor of (truncated) Coulomb potential in mixed (truncated) Coulomb/Longrange potential.Only valid when mixed potential is requested. [Edit on GitHub]

SCALE_LONGRANGE: real = 1.00000000E+000

Usage: OMEGA 0.5

Scaling factor of longrange Coulomb potential in mixed (truncated) Coulomb/Longrange potential.Only valid when mixed potential is requested. [Edit on GitHub]

TRUNCATION_RADIUS: real = 5.29177209E+000

Aliases: CUTOFF_RADIUS

Usage: TRUNCATION_RADIUS 10.0

Determines truncation radius for the truncated potentials. Only valid when doing truncated calculations [Edit on GitHub]