[Wien] -s switch

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.ac.be
Tue Aug 12 11:00:53 CEST 2003


I noticed this (maybe unwanted?) behaviour of the -s switch in runsp_lapw: 
when a calculation with spinorbit is restarted with 'runsp -so -s lapw2', then 
lapw2 is executed, not lapw2c. This can be a feature (following the philosophy 
that the user has to know that with -so it must be lapw2c), but I wonder 
whether it wouldn't be better to let runsp decide automatically that with -so 
it executes lapw2c, regardless whether -s lapw2 or -s lapw2c is specified? 
lapw2c is the only correct choice in such a case, hence such modification of 
the script eliminates a possible source of user-errors.

Stefaan




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