Hello everyone,<div><br></div><div>I would like to cell optimize the gamma-glycine and keep the symmetry.</div><div><br></div><div>I wonder for the gamma-glycine with space group of (#144, P31), and lattice parameters of </div><div>a=b=7.037, c=5.483, alpha=beta=90 and gamma=120, which is trigonal, we should use </div><ul><li>MONOCLINIC_GAMMA_AB         <em>Monoclinic (a = b ≠ c, α = β = 90°, γ ≠ 90°)</em></li></ul><div><i>for  </i><a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/SUBSYS.html">SUBSYS</a> / <a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/SUBSYS/CELL.html">CELL</a>/ <a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/SUBSYS/CELL.html#list_SYMMETRY">SYMMETRY</a>?</div><div><br></div><div>Kindest regards,</div><div>Mozhdeh</div>

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