!!!!!! NOT WORKING YET!!!!!!!
SUBROUTINE CalcTau !Detemines tau for a given lattice type if (dimen == 3) then ! 3D ! Hij_min**-1 call assign_value_to_tau((k_lattice_constant**2 * OMEGA) / (4.0_dp * PI), & 'Initialization in System_neci.') if (tTruncInitiator) call assign_value_to_tau(TAU * InitiatorWalkNo, 'Initialization in System_neci.') if (tHPHF) call assign_value_to_tau(TAU / sqrt(2.0_dp), 'Initialization in System_neci.') call assign_value_to_tau(0.9_dp * TAU * 4.0_dp / (NEL * (NEL - 1)) / (NBASIS - NEL), & 'Initialization in System_neci.') if (TAU > k_lattice_constant**(-2) / OrbEcutoff) then ! using Hii call assign_value_to_tau(1.0_dp / (k_lattice_constant**(2) * OrbEcutoff), & 'Initialization in System_neci.') write(stdout, *) '***************** Tau set by using Hii *******************************' !write(stdout,*) 1.0_dp/((2.0_dp*PI/Omega**third)**2*orbEcutoff) else write(stdout, *) 'Tau set by using Hji' end if else if (dimen == 2) then !2D ! Hij_min**-1 call assign_value_to_tau((k_lattice_constant * OMEGA) / (2.0_dp * PI), & 'Initialization in System_neci.') if (tTruncInitiator) call assign_value_to_tau(TAU * InitiatorWalkNo, & 'Initialization in System_neci.') if (tHPHF) call assign_value_to_tau(TAU / sqrt(2.0_dp), 'Initialization in System_neci.') call assign_value_to_tau(0.9_dp * TAU * 4.0_dp / (NEL * (NEL - 1)) / (NBASIS - NEL), & 'Initialization in System_neci.') if (TAU > k_lattice_constant**(-2) / OrbEcutoff) then !!!!!!!! NOT WORKING YET!!!!!!! !using Hii call assign_value_to_tau(1.0_dp / (k_lattice_constant**(2) * OrbEcutoff), & 'Initialization in System_neci.') write(stdout, *) '***************** Tau set by using Hii *******************************' else write(stdout, *) 'Tau set by using Hji' end if else if (dimen == 1) then !1D call assign_value_to_tau(OMEGA / (-2.0_dp * log(1.0_dp / (2.0_dp * sqrt(orbEcutoff)))), & 'Initialization in System_neci.') if (tTruncInitiator) call assign_value_to_tau(TAU * InitiatorWalkNo, & 'Initialization in System_neci.') if (tHPHF) call assign_value_to_tau(TAU / sqrt(2.0_dp), & 'Initialization in System_neci.') call assign_value_to_tau(0.9_dp * TAU * 4.0_dp / (NEL * (NEL - 1)) / (NBASIS - NEL), & 'Initialization in System_neci.') if (TAU > 0.9_dp * 1.0_dp / (0.5_dp * (k_lattice_constant)**2 * NEL * OrbEcutoff)) then ! using Hii call assign_value_to_tau(0.9_dp * 1.0_dp / (0.5_dp * (k_lattice_constant)**2 * NEL * OrbEcutoff), & 'Initialization in System_neci.') write(stdout, *) '***************** Tau set by using Hii *******************************' else write(stdout, *) 'Tau set by using Hji' end if end if !dimension write(stdout, *) 'Tau set to: ', TAU return END SUBROUTINE CalcTau