[Wien] error

[Angelica]

Hello Ercan.

When I tried to calculate the bcc Fe case I also got the following error
message:" 'l2man'-QTL-B.GT.7.,check scf files ". Also I got the same error
when I tried to do the calculations for UN and for CaF2, during the scf
calculations in the first iteration. I did not face this problem on previous
versions of WIEN. 
But when I used the -in1new scheme the scf program worked fine. I know that
we can use this scheme for some cases, like for actinides, but I am not sure
that using this scheme is a general solution for all cases.

Angelica.


-----Original Message-----
From: wien-admin at zeus.theochem.tuwien.ac.at
[mailto:wien-admin at zeus.theochem.tuwien.ac.at] On Behalf Of ercan u?gun
Sent: Wednesday, March 23, 2005 2:02 PM
To: wien at zeus.theochem.tuwien.ac.at
Subject: [Wien] error

Dear wien2k users,
I am using WIEN2k_05 version with ifc 8.1 and mkl 7.0. I am trying to
recalculate the test cases (e.g. bccFe as explained Cottainer's textbook).
For
this new wersion of wien2k an error message was given as below:

L2main - QTL-B Error
 LAPW1 END
 LAPW1 END
 LAPW0 END

If someone knows the solution of the problem, i would be very happy. Thanks
in
advance.

----------------------------------
Yard. Doc. Dr. Ercan UCGUN
Dumlupinar Universitesi
Fen Edebiyat Fakultesi
Fizik Bolumu Kutahya / TURKIYE

Dumlupinar University
Department of Physics
Kutahya / TURKEY
----------------------------------


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