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<div class="">Dear Quantum Espresso friends,</div>
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<div class="">All my systems of interest have S2-symmetry, i.e. there is an inversion centre present.</div>
<div class="">In one of my previous mails, I complained about loosing symmetry. I calculate my systems</div>
<div class="">sequently with increased accuracy. I clearly started with a system with an inversion centre.</div>
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<div class="">There was a message in the output of the first calculation:</div>
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<div class=""> 2 Sym. Ops., with inversion, found ( 1 have fractional translation) </div>
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<div class="">I realise now that I did not read this message carefully. I missed the last part about fractional translation.</div>
<div class="">What does it mean?</div>
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<div class="">At some point in the sequence of calculations, the output contained the following message about symmetry:</div>
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<div class=""> No symmetry found</div>
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<div class="">I was surprised about the lost of symmetry. Is it related to the fractional translation?</div>
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<div class="">Today I put a lot of effort to impose the symmetry. I read one part of the system from output and generated</div>
<div class="">the other part by inversion.</div>
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<div class="">Now the output contained the following message:</div>
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<div class=""> No symmetry found</div>
<div class=""> (note: 1 additional sym.ops. were found but ignored</div>
<div class=""> their fractional translations are incommensurate with FFT grid)</div>
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<div class="">How can I bring the fractional translations of the sym.ops in commensurate mode with FFT grid?</div>
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Met vriendelijke groeten,</div>
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Mit freundlichen Grüßen,</div>
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With kind regards,</div>
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