[Pw_forum] wavefunction coefficients

Karoly Nemeth nemeth at anl.gov
Fri Jan 23 23:51:01 CET 2009


Another comment on the use of the pw2casino.x code. The extracted 
wavefunction coefficients do not norm to one. Even if I use the single 
file collection and run it on one processor only, the norm of the 
coefficients vector is not one, but, e.g. 0.87449. It appears that 
pw2casino.x may not collect all the coefficients for every G vector.

Karoly



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