[Wien] wave function for unit cell
Mohammad R. Rasoulian
mrasolian at gmail.com
Mon Aug 17 13:44:34 CEST 2009
Dear users
I know i can extract Alm , Blm , U and Udot coefficients of the APW basis
wave function for basis atom in each k point from Case.almblm and
Case.radwf files.
now I have a question about wave function.
How can i extract the wave function of other atoms in unit cell ?
should i multiply the coefficient to a phase factor ?
thanks for your guide .
best wishes.
Mohammad
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Mohammad Reza Rasoulian
Computational Condensed Matter Research Lab
Physics Department, Isfahan University of Technology, Iran
Tel lab: +98 311 391 3731 Fax Office: +98311 391 3746
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