[Wien] What is U(R) in potential parameters (case.output1, SRC_lapw1/atpar.f P(J, JATOM))

[Laurence Marks]

Does anyone know what exactly U(R) in the potential parameters printed
in case.output1 by SRC_lapw1/atpar.f is, stored in the array
P(J,JATOM)? I've traced that when this gets small both B and C in the
APW+lo expansion get small, you can get a Cholesky factorization error
and also the forces can get inaccurate. Unfortunately my German is non
existent.

-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
http://www.numis.northwestern.edu