The ABINIT Users Mailing List ( CLOSED )

[Matthieu Verstraete <mjv500@york.ac.uk>]

Hello,

I've seen this bug for a number of other people, but now it's bugging me 
too, so I shall report it (v5.5.3 on linux centos/AMD 64 bit with g95 
compiler). Using the wavelet poisson solver on a tall cell with a layered 
material, I get

 invcb : BUG -
  Fast computation of inverse cubic root failed.
  Action : contact ABINIT group.

.Delivered   15 WARNINGs and   2 COMMENTs to log file.

Has this routine changed recently? Is this a precision problem only or is 
it an abinit bug? The tolerance for the calculation of the inverse cube 
root is ridiculous: 1.e-24.

BTW: in the header documentation of the routine invcb the exponent is 1/3 
instead of -1/3

Ciao

Matthieu


================================================================
Dr. Matthieu Verstraete                 mailto:mjv500@york.ac.uk
Dept. of Physics, University of York,     tel: +44 1904 43 22 08
Heslington, YO10 5DD York, United Kingdom fax: +44 1904 43 22 14