[Wien] lstart stops with "NSTOP= 362 FOR THE ORBITAL 2S"

zhs064 zhs064 at mail.usask.ca
Wed May 7 09:53:15 CEST 2008


Dear all,
    

    I'd like to perform calculations on a very dense form of Li using PBE. 
Since Li has a very shallow 1s core level, approximately 4 Ryd., I have set Li
1s to be valence in LSTART, that is the energy cutoff -8 Ryd.  However, LSTART
stopped with error message "NSTOP= 362  FOR THE ORBITAL  2S".  I wonder what is
the cause of the problem and how to rectify it.

   Thank you very much!

Zhe Song

University of Saskatchewan



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