[Wien] open core treatment

[Igor Djerdj]

Dear Yongbin,
Thx for the answer,
No, I did not change de to 0, i.e. now I did it and rerun calculation.
Regards,
Igor

----- Original Message ----- 
From: "Yongbin Lee" <yblee at iastate.edu>
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Sent: Monday, March 03, 2008 4:06 PM
Subject: Re: [Wien] open core treatment


> Dear Igor
> Just onething that you didn't comment about.
> In *.in1(linr 4), one had to change not olny "El"(energy parameter) but 
> also "de"(energy increment should be "0" for 4f electron) for open-core 
> calculation.
> Have you changed that parameter for your calculation ?
> 
> Best
> Yongbin 
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