Unit Conventions in McPhase

In most cases units of input parameters and output properties in McPhase cannot be modified and are fixed in the program code. In output files usually the unit is given in the column header. In table (8) the unit conventions are listed.

Table 8: Units in the program package McPhase:

Physical Quantity	symbol	unit	typical file(s)
Charge	CHARGE	$\vert e\vert$	*.sipf
Debye Waller Factor	DWF, $B_{iso}/2$	Å$^2$	*.sipf, mcdiff.in
Energy	cf-parameters Blm Llm, free energy u	meV	*.sipf, mcphas.fum ...
Lattice Constant	a,b,c	Å	mcdiff.in, mcphas.j
Magnetic Field	H, Ha, Hb, Hc	Tesla	mcphas.ini, mcdisp.mf ...
Magnetic Moment	mu, $\mu$	$\mu_B$	mcphas.fum
Neutron Cross Section	sigma ,$\sigma$	barn	mcdisp.qei
Neutron Scattering Length	SCATTERINGLENGTHREAL	$10^{-12}$ cm	*.sipf, mcdiff.in
	SCATTERINGLENGTHIMAG
Radial Integrals	R2,R4,R6 , $\langle r^l \rangle$	$a_0^2$, $a0=0.5292$ Å
Temperature	T	Kelvin	mcphas.ini, mcdisp.mf ...
Wave length	lambda, $\lambda$	Å	mcdiff.in
Wave vector	k, ki, kf, Q, Qx, Qy, Qz	1/Å	mcdisp.par