diff --git a/qpms/apps/hexlattice_ewald.c b/qpms/apps/hexlattice_wrongewald.c similarity index 100% rename from qpms/apps/hexlattice_ewald.c rename to qpms/apps/hexlattice_wrongewald.c diff --git a/qpms/apps/hexlattice_ewald_altin.c b/qpms/apps/hexlattice_wrongewald_altin.c similarity index 100% rename from qpms/apps/hexlattice_ewald_altin.c rename to qpms/apps/hexlattice_wrongewald_altin.c diff --git a/tests/ewaldshift.c b/tests/ewaldshift.c index ee12752..0d00e87 100644 --- a/tests/ewaldshift.c +++ b/tests/ewaldshift.c @@ -10,6 +10,14 @@ #include #include #include +#include + + +static const double eV = GSL_CONST_MKSA_ELECTRON_CHARGE; +static const double c0 = GSL_CONST_MKSA_SPEED_OF_LIGHT; +static const double hbar = GSL_CONST_MKSA_PLANCKS_CONSTANT_HBAR; + + typedef struct ewaldtest_triang_params { qpms_l_t lMax; point2d beta; @@ -39,6 +47,10 @@ typedef struct ewaldtest_triang_results { ewaldtest_triang_params paramslist[] = { // lMax, beta, shift, k, a, eta, maxR, maxK, csphase, orientation + {3, {2.7/576e-9, 1/576e-9}, {576e-9/2,0}, 4.1*M_PI/576e-9, 576e-9, 1/576e-9, 40*576e-9, 40/576e-9, 1., TRIANGULAR_VERTICAL}, + {3, {2.7/576e-9, 1/576e-9}, {576e-9/2,0}, 4.1*M_PI/576e-9, 576e-9, 2/576e-9, 40*576e-9, 40/576e-9, 1., TRIANGULAR_VERTICAL}, + {3, {2.7/576e-9, 1/576e-9}, {576e-9/2,0}, 4.1*M_PI/576e-9, 576e-9, 3/576e-9, 40*576e-9, 40/576e-9, 1., TRIANGULAR_VERTICAL}, + {3, {2.7/576e-9, 1/576e-9}, {576e-9/2,0}, 4.1*M_PI/576e-9, 576e-9, 4/576e-9, 40*576e-9, 40/576e-9, 1., TRIANGULAR_VERTICAL}, /* { 2, {2.7, 1}, {0.5,0.1325}, 2.3, 0.97, 0.5, 20, 160, 1., TRIANGULAR_VERTICAL}, { 2, {2.7, 1}, {0.5,0.1325}, 2.3, 0.97, 1.5, 20, 160, 1., TRIANGULAR_VERTICAL},