[Wien] Automatic generation of case.in1 file as per Cottenier's book :in1new switch

[Ghosh SUDDHASATTWA]

Dear Wien2k users, 

As has been suggested in Cottenier's book on the automatic generation of
linearization energies, we have to put the in1new switch. I seek the
following clarifications. 

My command line for Fe (space group 229) was 

run_lapw -cc 0.0001 -ec 0.00005 -in1new 4 

 

I did not actually get a modified case.file but an error in the
case.dayfile. 

 

Can anybody tell me the mistake I have committed? I went by the same way as
has been suggested for Fe (bcc) case. 

 

Thanks in advance 

 

Suddhasattwa Ghosh 

 

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