[Wien] lapw1 ends.'select' error

[Hajari Nejatii]

Hi.
There are some  resons in this field. I have faced to the same problem during my calculations, and I solved it by decreasing the difference between the Muffin-Tin radiuses  in the case.struct.

--- On Sun, 6/6/10, Dr Aruna Chatterjee <aruna_c at vsnl.net> wrote:


From: Dr Aruna Chatterjee <aruna_c at vsnl.net>
Subject: [Wien] lapw1 ends.'select' error
To: wien at zeus.theochem.tuwien.ac.at
Date: Sunday, June 6, 2010, 3:26 PM





Dear Wien users,
                          I am working with a transition element oxide. After completing the initialisation when the scf cycle is started the execution stops after lapw0 ends. In the error file it is stated
                           'Select error' : no energy limit found for l=0
                            It will be appreciated if any one can suggest to solve this problem.
         
 
                           Arun Kumar Chatterjee
 
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