Output parameters

Use the following keywords to prepare the output section of your program configuration file.

Output parameter definitions

Description	keywords	default unit	output filename pattern
Adiabatic elastic modulus	cij_s, cij, adiabatic_elastic_moduli	GPa	c{ij}s_{base}_gpa.txt
Isothermal elastic modulus	cij_t, isothermal_elastic_moduli	GPa	c{ij}t_{base}_gpa.txt
Voigt average of bulk modulus	B_V, Bm_V, bm_V, bulk_modulus_voigt	GPa	bm_V_{base}_gpa.txt
Reuss average of bulk modulus	B_R, Bm_R, bm_R, bulk_modulus_reuss	GPa	bm_R_{base}_gpa.txt
Voigt-Reuss-Hill average of bulk modulus	B_VRH, Bm_VRH, bm_VRH, bulk_modulus_voigt_reuss_hill	GPa	bm_VRH_{base}_gpa.txt
Voigt average of shear modulus	G_V, shear_modulus_voigt	GPa	G_V_{base}_gpa.txt
Reuss average of shear modulus	G_R, shear_modulus_reuss	GPa	G_R_{base}_gpa.txt
Voigt-Reuss-Hill average of shear modulus	G_VRH, shear_modulus_voigt_reuss_hill	GPa	G_VRH_{base}_gpa.txt
Primary accoustic wave velocities	v_p, vp, primary_velocities	km/s	v_p_{base}_km_s.txt
Secondary accoustic wave velocities	v_s, vs, secondary_velocities	km/s	v_s_{base}_km_s.txt
Volumes (available only in pressure base)	v, V, volumes	angstrom^3	v_{base}_ang3.txt
Pressures (available only in volume base)	p, P, pressures	GPa	p_{base}_gpa.txt

For actually output file name the {ij} in the output file name pattern will be replaced by the subscripts of elastic constants symbols in Voigt notation, and the {base} will be replaced by tv and tp (for value defined on the grid of \((T,V)\) and \((T,P)\), respectively).