Dear Prof.Blaha ; I want to know one point about A,B,C coefficients which are printed in case.almblm . Have been these coefficients multiplied in a special factor ? I guess that maybe they have been multiplied in a phasefactor that does not matter for the calculation of the charge but which matters for the calculation of Wannier functions. Should I put a factor such as i^L in front of them when I want to calculate Wannier functions?
Another point is about large and small components of u and u-dot which are printed in case.radwf. I guess that large components have been multiplied in r and small components have been multiplied in rc where c is the speed of light. Am I right? Thanks in advance for your reply. Best, Fatemeh -- +------------------------------------------------------------------------------+ |Fatemeh Mirjani | Email: f_mirjani at ph.iut.ac.ir | |Computational Condensed Matter Research Lab. | Tel/Fax Office: +98311-3913746 | |ICTP Affiliated Center in Isfahan, | Tel Lab.: +98311-3913731 | +----------Physics Department, Isfahan University of Technology, Iran----------+
