[Wien] Fe_cubic_229:QTL Error (Part II)

[Ghosh SUDDHASATTWA]

I guess you are right Stefaan. It is because of DEPE
I again ran with the LO with energy 1.2002 for L=2 
I ended up getting 
L2Main-QTL B error. 
I guess something is wrong with my session itself. 
I will create a new session and come back to the mailing list 

Thanks Stefaan again 
SG 


-----Original Message-----
From: wien-bounces at zeus.theochem.tuwien.ac.at
[mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of Stefaan
Cottenier
Sent: Friday, May 07, 2010 3:37 PM
To: A Mailing list for WIEN2k users
Subject: Re: [Wien] Fe_cubic_229:QTL Error (Part II)


> But I guess, I did not address my question properly. 
> My SCF gave an error when I added a LO for L=2. 

Even with this, it works here.

Once you have added this LO, you should drop -in1new (it would overwrite 
case.in1 without re-adding the LO).

Stefaan
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