GAP model parameter files for "Combining phonon accuracy with high transferability in Gaussian approximation potential models"

<p>GAP model parameter files to accompany the publication</p> <p>&quot;Combining phonon accuracy with high transferability in Gaussian approximation potential models&quot;</p> <p>by Janine George, Geoffroy Hautier, Albert P. Bart&oacute;k, G&aacute;bor Cs&aacute;nyi, and Volker L. Deringer</p> <p>All models are defined by the main parameter file &quot;gp_iter6C.xml&quot; and the associated file &quot;gp_iter6C.xml.sparseX.GAP_00001&quot;, where &quot;GAP_0000&quot; is a placeholder for the unique identifier of the potential (also given in the XML header), and the trailing &quot;1&quot; indicates that only one set of descriptor (here, SOAP) parameters is given.</p> <p>The directories in this dataset follow the figures in the publication for which the respective potentials have been first used.</p> <p>Fig_2/only_random/M_1000<br> Fig_2/only_random/M_3000<br> Fig_2/only_random/M_5000<br> Fig_2/only_random/M_7000<br> Fig_2/only_random/M_9000</p> <p>Fig_2/only_individual/M_1000<br> Fig_2/only_individual/M_3000<br> Fig_2/only_individual/M_5000<br> Fig_2/only_individual/M_7000<br> Fig_2/only_individual/M_9000</p> <p>Fig_2/combined/M_1000<br> Fig_2/combined/M_3000<br> Fig_2/combined/M_5000<br> Fig_2/combined/M_7000<br> Fig_2/combined/M_9000</p> <p>Fig_4/only_individual/f_0.1000<br> Fig_4/only_individual/f_0.0100<br> Fig_4/only_individual/f_0.0010<br> Fig_4/only_individual/f_0.0001</p> <p>Fig_4/combined/f_0.1000<br> Fig_4/combined/f_0.0100<br> Fig_4/combined/f_0.0010<br> Fig_4/combined/f_0.0001</p> <p>Fig_5/GAP-18_plus_SCs_f0.01 &nbsp;<br> Fig_5/GAP-18_plus_SCs_f0.001</p> <p>&nbsp;</p>