Re: [Wien] Augmented Plane Wave

2019-03-22 Thread delamora
Dear Sam, Thank you for your contribution; once I saw a figure in which the plane wave continues into the MT region but enlarged, which confused me. De: Wien en nombre de Sam Trickey Enviado: viernes, 22 de marzo de 2019 08:13 a. m. Para: wien@zeus.theochem.t

Re: [Wien] Augmented Plane Wave

2019-03-22 Thread Sam Trickey
Rarely do I contribute to this list, though I benefit from reading it. I must respectfully contradict Martin.  Professor Slater clearly intended that the augmentation be of the plane wave.  The history, at least as I know it, is this. Professor Slater did not use the word "augment" or "augmented

Re: [Wien] Augmented Plane Wave

2019-03-22 Thread pieper
Dear Pablo, I suspect your problem occurs because you left out the word which "Augmented" refers too: It is an "Augmented Plane Wave Method", that is, the Method is augmented (including additional basis functions), not the plane waves (in amplitude or intensity). Best regards, Martin Pieper