[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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