[Wien] V output
John Rundgren
jru at kth.se
Tue May 11 11:08:44 CEST 2010
Dear Professor Blaha,
The output of case.vcoul is given on a logarithmic radial grid from R0
to RMT. Question:
Does WIEN2k use internally an auxiliary atomic sphere of some radius
RAUX>RMT? If so, is it possible to obtain case.vcoul out to RAUX?
This question has a positive answer for the Augmented Spherical Wave
program of V. Eyert. I should like to compare both versions of vcoul.
Best regards,
John
--
Dr John Rundgren phone 46-8-5537 8171
Theoretical Physics fax 46-8-5537 8216
Royal Inst. of Technology (KTH), mailto:jru at kth.se
AlbaNova, SE-10691 Stockholm, Sweden http://theophys.kth.se/~jru
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