diff --git a/crispy/modules/quanty/templates/3d_C3v_XES_1s2p.lua b/crispy/modules/quanty/templates/3d_C3v_XES_1s2p.lua index 445fc32e..6e55a43e 100644 --- a/crispy/modules/quanty/templates/3d_C3v_XES_1s2p.lua +++ b/crispy/modules/quanty/templates/3d_C3v_XES_1s2p.lua @@ -5,7 +5,7 @@ -- elements: 3d -- symmetry: C3v -- experiment: XES --- edge: Kɑ (1s2p) +-- edge: Ka (1s2p) -------------------------------------------------------------------------------- Verbosity($Verbosity) @@ -466,8 +466,8 @@ DeltaE1 = 0 Eedge2 = $Eedge1 DeltaE2 = E_gs_f - E_gs_i -Emin1 = 0 -Emax1 = 0 +Emin1 = -20 +Emax1 = 40 NE1 = 1 Gamma1 = 0 diff --git a/crispy/modules/quanty/templates/3d_C3v_XES_1s3p.lua b/crispy/modules/quanty/templates/3d_C3v_XES_1s3p.lua index 79ec4b72..e6c0ecb2 100644 --- a/crispy/modules/quanty/templates/3d_C3v_XES_1s3p.lua +++ b/crispy/modules/quanty/templates/3d_C3v_XES_1s3p.lua @@ -5,7 +5,7 @@ -- elements: 3d -- symmetry: C3v -- experiment: XES --- edge: Kβ (1s3p) +-- edge: Kb (1s3p) -------------------------------------------------------------------------------- Verbosity($Verbosity) @@ -466,8 +466,8 @@ DeltaE1 = 0 Eedge2 = $Eedge1 DeltaE2 = E_gs_f - E_gs_i -Emin1 = 0 -Emax1 = 0 +Emin1 = -20 +Emax1 = 40 NE1 = 1 Gamma1 = 0 diff --git a/crispy/modules/quanty/templates/3d_D3h_XES_1s2p.lua b/crispy/modules/quanty/templates/3d_D3h_XES_1s2p.lua index 8b2fb829..574ea951 100644 --- a/crispy/modules/quanty/templates/3d_D3h_XES_1s2p.lua +++ b/crispy/modules/quanty/templates/3d_D3h_XES_1s2p.lua @@ -5,7 +5,7 @@ -- elements: 3d -- symmetry: D3h -- experiment: XES --- edge: Kɑ (1s2p) +-- edge: Ka (1s2p) -------------------------------------------------------------------------------- Verbosity($Verbosity) @@ -462,8 +462,8 @@ DeltaE1 = 0 Eedge2 = $Eedge1 DeltaE2 = E_gs_f - E_gs_i -Emin1 = 0 -Emax1 = 0 +Emin1 = -20 +Emax1 = 40 NE1 = 1 Gamma1 = 0 diff --git a/crispy/modules/quanty/templates/3d_D3h_XES_1s3p.lua b/crispy/modules/quanty/templates/3d_D3h_XES_1s3p.lua index 3c745ed8..4c792a21 100644 --- a/crispy/modules/quanty/templates/3d_D3h_XES_1s3p.lua +++ b/crispy/modules/quanty/templates/3d_D3h_XES_1s3p.lua @@ -5,7 +5,7 @@ -- elements: 3d -- symmetry: D3h -- experiment: XES --- edge: Kβ (1s3p) +-- edge: Kb (1s3p) -------------------------------------------------------------------------------- Verbosity($Verbosity) @@ -462,8 +462,8 @@ DeltaE1 = 0 Eedge2 = $Eedge1 DeltaE2 = E_gs_f - E_gs_i -Emin1 = 0 -Emax1 = 0 +Emin1 = -20 +Emax1 = 40 NE1 = 1 Gamma1 = 0 diff --git a/crispy/modules/quanty/templates/3d_D4h_XES_1s2p.lua b/crispy/modules/quanty/templates/3d_D4h_XES_1s2p.lua index b1b5ea89..003442c2 100644 --- a/crispy/modules/quanty/templates/3d_D4h_XES_1s2p.lua +++ b/crispy/modules/quanty/templates/3d_D4h_XES_1s2p.lua @@ -5,7 +5,7 @@ -- elements: 3d -- symmetry: D4h -- experiment: XES --- edge: Kɑ (1s2p) +-- edge: Ka (1s2p) -------------------------------------------------------------------------------- Verbosity($Verbosity) @@ -764,8 +764,8 @@ DeltaE1 = 0 Eedge2 = $Eedge1 DeltaE2 = E_gs_f - E_gs_i -Emin1 = 0 -Emax1 = 0 +Emin1 = -20 +Emax1 = 40 NE1 = 1 Gamma1 = 0 diff --git a/crispy/modules/quanty/templates/3d_D4h_XES_1s3p.lua b/crispy/modules/quanty/templates/3d_D4h_XES_1s3p.lua index 72004b1c..b08c85d3 100644 --- a/crispy/modules/quanty/templates/3d_D4h_XES_1s3p.lua +++ b/crispy/modules/quanty/templates/3d_D4h_XES_1s3p.lua @@ -5,7 +5,7 @@ -- elements: 3d -- symmetry: D4h -- experiment: XES --- edge: Kβ (1s3p) +-- edge: Kb (1s3p) -------------------------------------------------------------------------------- Verbosity($Verbosity) @@ -764,8 +764,8 @@ DeltaE1 = 0 Eedge2 = $Eedge1 DeltaE2 = E_gs_f - E_gs_i -Emin1 = 0 -Emax1 = 0 +Emin1 = -20 +Emax1 = 40 NE1 = 1 Gamma1 = 0 diff --git a/crispy/modules/quanty/templates/3d_Oh_XES_1s2p.lua b/crispy/modules/quanty/templates/3d_Oh_XES_1s2p.lua index 6861b504..9190ab92 100644 --- a/crispy/modules/quanty/templates/3d_Oh_XES_1s2p.lua +++ b/crispy/modules/quanty/templates/3d_Oh_XES_1s2p.lua @@ -5,7 +5,7 @@ -- elements: 3d -- symmetry: Oh -- experiment: XES --- edge: Kɑ (1s2p) +-- edge: Ka (1s2p) -------------------------------------------------------------------------------- Verbosity($Verbosity) @@ -678,8 +678,8 @@ DeltaE1 = 0 Eedge2 = $Eedge1 DeltaE2 = E_gs_f - E_gs_i -Emin1 = 0 -Emax1 = 0 +Emin1 = -20 +Emax1 = 40 NE1 = 1 Gamma1 = 0 diff --git a/crispy/modules/quanty/templates/3d_Oh_XES_1s3p.lua b/crispy/modules/quanty/templates/3d_Oh_XES_1s3p.lua index e8ba42d8..04930942 100644 --- a/crispy/modules/quanty/templates/3d_Oh_XES_1s3p.lua +++ b/crispy/modules/quanty/templates/3d_Oh_XES_1s3p.lua @@ -5,7 +5,7 @@ -- elements: 3d -- symmetry: Oh -- experiment: XES --- edge: Kβ (1s3p) +-- edge: Kb (1s3p) -------------------------------------------------------------------------------- Verbosity($Verbosity) @@ -678,8 +678,8 @@ DeltaE1 = 0 Eedge2 = $Eedge1 DeltaE2 = E_gs_f - E_gs_i -Emin1 = 0 -Emax1 = 0 +Emin1 = -20 +Emax1 = 40 NE1 = 1 Gamma1 = 0 diff --git a/crispy/modules/quanty/templates/3d_Td_XES_1s2p.lua b/crispy/modules/quanty/templates/3d_Td_XES_1s2p.lua index 8199a2c9..2fc1194a 100644 --- a/crispy/modules/quanty/templates/3d_Td_XES_1s2p.lua +++ b/crispy/modules/quanty/templates/3d_Td_XES_1s2p.lua @@ -5,7 +5,7 @@ -- elements: 3d -- symmetry: Td -- experiment: XES --- edge: Kɑ (1s2p) +-- edge: Ka (1s2p) -------------------------------------------------------------------------------- Verbosity($Verbosity) @@ -678,8 +678,8 @@ DeltaE1 = 0 Eedge2 = $Eedge1 DeltaE2 = E_gs_f - E_gs_i -Emin1 = 0 -Emax1 = 0 +Emin1 = -20 +Emax1 = 40 NE1 = 1 Gamma1 = 0 diff --git a/crispy/modules/quanty/templates/3d_Td_XES_1s3p.lua b/crispy/modules/quanty/templates/3d_Td_XES_1s3p.lua index 7cbba994..1fd1b319 100644 --- a/crispy/modules/quanty/templates/3d_Td_XES_1s3p.lua +++ b/crispy/modules/quanty/templates/3d_Td_XES_1s3p.lua @@ -5,7 +5,7 @@ -- elements: 3d -- symmetry: Td -- experiment: XES --- edge: Kβ (1s3p) +-- edge: Kb (1s3p) -------------------------------------------------------------------------------- Verbosity($Verbosity) @@ -678,8 +678,8 @@ DeltaE1 = 0 Eedge2 = $Eedge1 DeltaE2 = E_gs_f - E_gs_i -Emin1 = 0 -Emax1 = 0 +Emin1 = -20 +Emax1 = 40 NE1 = 1 Gamma1 = 0