[Wien] -ec and -cc convergence options

[Steven Homolya]

On Wed, 20 Aug 2003, Xavier Rocquefelte wrote:

> If I do not say something wrong, this behavior is expected. The wien 
> code need few (3 if I remember) successive converged cycles to stop.

3 cycles are used only for energy convergence (acc. to the userguide). In
any case the last value displayed in the ":ENERGY convergence" lines is
deduced from the previous 3 cycles, so last number < tolerance should be
enough to stop the scf calc, and Victor's results still seem inconsistent
with what is expected. (sorry I don't know the reason.)

Steve

-- 
Steven Homolya
School of Physics and Materials Engineering
Monash University, VIC 3800
Australia
Tel: +61 3 9905 3694
Fax: +61 3 9905 3637