Dear professor,
We are doing the example running in the user guide through GUI, and
everything is all right. However I have a question about the calculation
sequence. For a specific calculation, if I do not do the Mini for atom
positions and volume optimizations for the unit cell, does that mean t
Yes, a "normal" scf cycle does of course NOT change atomic positions nor
lattice parameters.
With MSR1a instead if MSR1 in case.inm you can optimize the atomic positions
(if allowed by symmetry).
Lattice parameters must be modified "manually" (or by a script like
optimize.job).
Am 09.06.2
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