EoS Fit and display EoS Fit and display Eosfit7 GUI ›› All of the data fitting tabs (Volume, a, b, c, UVW/hkl) have the same functions. All that differs is which data they handle. If the data is not present in your dataset, then the corresponding tabs will be inactive. In each data-fitting tab you can fit up to three different EoS. Select them with the EoS buttons. The release of 2021 has an improved Estimation procedure that is faster, more reliable, and allows the user to control which parameters are estimated: If you know the values of some parameters, write the values into the boxes and tick the corresponding refinement box. This keeps the value of the parameter fixed while the other parameters are estimated. For the MGD and Einstein EoS it is important to set the value of Natom correctly to get meaningful estimates of the other parameters. See the page on thermal-pressure models to understand the role of Natom. To improve stability, the MGD and Einstein EoS are always estimated for the q-compromise model . You can always switch to the general model after refining the q-compromise model. The normalized parameters tab does not  perform any fitting, it is only a display feature that allows for quick comparisons among different lattice parameters and crystallographic directions. Copyright © 2013-2021 by RJA-JGP-MA-MLM. All Rights Reserved.
