Hello CP2K developers,<br><br>I would like to point out these WARNING messages that I am not understanding:<br><div><br></div><div>
<p>
*** WARNING in particle_methods.F:684 :: The distance between the
atoms 1 ***</p>
<p> *** and 17 is only
0.094 angstrom and thus smaller than the threshold of ***</p>
<p> *** 0.500 angstrom
***</p>
<p> *** WARNING in
particle_methods.F:684 :: The distance between the atoms 2 ***</p>
<p> *** and 81 is only
0.094 angstrom and thus smaller than the threshold of ***</p>
<p> *** 0.500 angstrom
***</p>
<p> *** WARNING in
particle_methods.F:684 :: The distance between the atoms 3 ***</p>
<p> *** and 19 is only
0.094 angstrom and thus smaller than the threshold of ***</p>
<p> *** 0.500 angstrom
***</p><p>….</p><p>however it seems to me that there are no atoms so close in my structure, in fact the atom-atom distances are greater than those indicated in the various warnings, as reported in the file “distances_YAG.txt” that I am attaching.</p><p><br>I am also attaching the input and output<br></p><p>Thank you all<br><br>Alberto<br><br></p></div>
<p></p>
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