[Wien] -in1new N

Stefaan Cottenier stefaan.cottenier at fys.kuleuven.be
Thu Jul 3 10:34:45 CEST 2008


> switch in1new N means that, after Nth iteration, the program will 
> update in1 file at every iteration. Hence when you do a run with 
> in1new N and want to continue it with other parameters, still using 
> in1new may affect your in1 file.
You're right, Hashemi, I had a misconception here. The description is 
the UG (page 54) is not entirely unambiguous, and I interpreted it as if 
in1new was called every Nth iteration. But indeed, if I look into run_lapw:

  if ($icycle >= $in1new ) then
    if (! -e $file.in1_orig ) cp $file.in1 $file.in1_orig
    write_in1_lapw -ql $qlimit >> $dayfile
    if($status == 0 ) cp $file.in1new $file.in1
  endif

then I see it is called at every iteration after the first N ones.

Stefaan


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