[Wien] problem generating case.in2_st, case.in2 and case.in1 files with initialization scripts

[saeid jalali]

It looks still to be more logical if we let to be generated case.inst only by struc generator due to the general structure of Wien2k code which consists of 3 parts: i) Struct Generator (SG), ii) Initialization, iii) Self Consistent Field (SCF).
 
If we generate case.struct using w2web then we will have the default case.inst too, and if we copy the case.sturct from somewhere why we must not copy case.inst as well or at least generate it (paying a little price to keep the general stucture of the code).
 
Saeid.
 
 


Stefaan Cottenier <Stefaan.Cottenier at fys.kuleuven.ac.be> wrote:

> Sometimes one needs to change case.inst, so it would not be a very good
task for init_lapw.

I agree with Kevin's suggestion (his line runs instgen only when there is NO
case.inst present yet).

Stefaan

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