Hi,<br><br>I am trying to understand the GAPW method as described in the article:<br>Theor. Chem. Acc (1999) 103:124-140<br><br>The basic idea is to reduce the amount of work performed in calculating<br>E^H[n(r)] and E^XV[n(r)] by decomposing the density into soft and hard
<br>contributions, i.e.<br>n = \tilde{n} - \tilde{n}^1 + n^1<br><br>This methods can be applied using AE or PP approach. Though applying<br>GAPW with PP would be more common.<br><br>Is this method really more like PAW (Bloechl et. al) or is more like an US-PP
<br>approach? For example, GAPW with PP has a frozen core and it would not<br>be possible to use it an relax-core PAW type of method?<br><br>Thanks and pardon my ignorance.<br clear="all"><br>-- <br>Nichols A. Romero, Ph.D
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