Nickel cell optimization

[Alex]

With the TOPOLOGY subsection fixed, the GEO_OPT run (as defined in input 
above) produces about 200 SCF updates and quits reporting "SCF not 
converged." The CELL_OPT run (it is my understanding that it optimizes all 
coordinates for each given cell size and cycles between the two 
optimizations) quits with

 ***************************************************************************
 *** 02:51:32 ERRORL2 in qs_moments:qs_moment_berry_phase UNIMPLEMENTED, ***
 *** Berry phase moments for non uniform MOs' occupation numbers not     ***
 *** implemented                                                         ***
 ***************************************************************************

Any thoughts? Thanks,

Alex

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