This is a description of the input parameters for xfh DABAX f0 FILE: Select a DABAX file from where the f0 component of the structure factor will be read. DABAX f1f2 FILE: Select a DABAX file from where the f1f2 components of the structure factor will be read. CRYSTAL: Select a crystal from this list of crystals. h MILLER INDEX: obvious k MILLER INDEX: obvious l MILLER INDEX: obvious TEMPERATURE FACTOR: Three possibilites: 1) Enter the exp(-M) value (a positive value between 0 and 1) 2) Enter the absolute temperatute in Kelvin, WITH A MINUS SIGN. The minus sign tells to the code that the number entered refers to a temperature and not to the full debye-waller exp(-M) factor. The minus sign will not be considered for the numerial calculations. In this case, the Debye-Waller factor is calculated as a function of the temperature, using a well-known approximation as a function of sin(theta/lambda)=1/(2d), temperature, atomic mass and Debye-temperature. In the case of crystal structures with more that one atomic sites, an independent Debye-Waller factor is calculated for each atomic site and then putting them together by averaging the M's. Values for atomic mass and Debye temperatures are obtained from the DABAX file AtomicConstants.dat. For more info, see the documentation in the function DebyeWaller.pro 3) Enter a question mark (?). In this case, the code will perform the calculation as in point 2), but it will pop-up a window that will permit to modify the Debye-Waller ingredients (i.e., the sin(theta/lambda)=1/(2d) ratio, temperatute, atomic mass and Debye temperature). In the case of crystal structures with several atomic types, several values of atomic mass and Debye temperature should be entered. The default values are taken from the DABAX file AtomicConstants.dat. The interest of this option is to allow the user to "improve" the default value of the temperature factor, which is mostly "structure" dependent rather than dependent on the atomic types. For example, in the case of AlphaQuartz (SiO2), The Debye temperature of the oxygen is not defined by default in the AtomicConstants.dat DABAX file because oxigen does not exist in crystalline state. Therefore the averaged value seems not realistic. This option allows to customize the Debye temperatures from default (note that values of Debye temperature found in bibliography change significatively from one reference to another) and also allows to enter average values of atomic mass and Debye temperature by entering identical values foe all atomic sites. Note that if values are changed in this window, they are not saved for further runs, nor saved to input files like xcrystal.xop. FROM ENERGY [eV]: the starting photon energy for the calculation. TO ENERGY [eV]: the starting photon energy for the calculation. NUMBER OF POINTS: the number of points for the energy grid. If set to 1, only the minimum energy point is calculated.