[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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