-- Lorenzo Paulatto I would like to understand the physical meaning of these > tags for experimental STM tip. It says that height min > should be somewhere in the bulk, does that mean the STM > tip goes deep inside the material? >
They have no physical meaning, they are calculation parameters that tell the code where the surface is. Regards > ============================================================= > heightmin ! (real) minimum value of the plane in which searching for > the isosurface > ! ! default value -> 0.0d0 > ! heightmax ! (real) maximum value of the plane in which > searching for the isosurface > ! ! default value -> 1.0d0 > ! ! the two parameters above are in percentage with > respect to the > ! ! height of the cell, i.e. between 0.0 and 1.0. > ! ! If heightmax < heightmin, it treats it as if it's > in the > ! ! upper periodically repeated slab. > ! ! Put heightmin somewhere in the bulk and heightmax > in the vacuum > ============================================================ > > > Summayya Kouser > Postdoctoral Researcher, > Rice University, > USA > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users
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