<p style="background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span style="color: rgb(38, 40, 42);">Dear All,</span></p>

<p style="background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span style="color: rgb(38, 40, 42);">I am a new user of CP2K. </span></p>

<p style="background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span style="color: rgb(38, 40, 42);">I am trying to to optimize  Ru(111) bulk and  slab consisiting 4 layers. </span></p>

<p style="background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span style="color: rgb(38, 40, 42);">   </span><span style="color: rgb(38, 40, 42); background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;">When I run the input file (in
attachment)</span> <span style="color: rgb(38, 40, 42);">the  only calculation that converge is that of the
elementary cell . As soon as I increase 
the number of atoms (slab) the calculation do not converge.</span></p>

<p style="background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;">  Could someone please point out my mistakes?  <br /></p>

<p style="background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span style="color: rgb(38, 40, 42);"> knowing that I
am using the version cp2k 2024.1</span></p>

<p style="background-image: initial; background-position: initial; background-size: initial; background-repeat: initial; background-attachment: initial; background-origin: initial; background-clip: initial;"><span style="color: rgb(38, 40, 42);">Thank you.</span></p>

<p></p>

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