The ABINIT Users Mailing List ( CLOSED )

[verstraete@pcpm.ucl.ac.be]

For the moment, occupations are not read in from _WFK files. This is a 
shame, and should be easy to fix, but requires careful checking of 
backward compatibility with old _WFK where the occ were not written. It's 
all in rwwf.F90 if someone is bored and has nothing to do.

You could start with occ fixed explicitly in the input, but this would be 
a nuisance. Otherwise, if your calculation is a SCF run the occ will be 
recalculated, and if not, they are not really needed.

Matthieu


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Matthieu Verstraete               mailto:verstraete@pcpm.ucl.ac.be 
PCPM, Boltzmann, pl. Croix du Sud, 1        tel: +32 10 47 33 59
B-1348 Louvain-la-Neuve  Belgium            fax: +32 10 47 34 52