[Wien] FERMI ERROR

Chukwuemeka Okoye cmi.okoye at unn.edu.ng
Tue May 2 10:31:27 CEST 2017


Dear Wien Users,
I am running a spin -orbit calculation in which I removed  RLO as shown in
case.inso below:
WFFIL
 4  1  0                      llmax,ipr,kpot
 -12.0000   3.50000           emin,emax (output energy window)
   0.  0.  1.                 direction of magnetization (lattice vectors)
 0                           number of atoms for which RLO is added
 1   -4.23      .0001      atom number,e-lo,de (case.in1), repeat NX times
 2 1 2                        number of atoms for which SO is switch off;
atoms
Then the following:

LAPW0 END
 LAPW1 END
LAPWSO END
FERMI - Error

>   stop error
When RLO is added, the job runs without any hitch.
Please, I need your kind assistance to overcome this challenge.

Chukwuemeka Okoye



*------------------------------Chukwuemeka M I Okoye*

*Department of Physics and Astronomy,*

*University of Nigeria, *

*Nsukka, Enugu State,*
*Nigeria*
Telephone: +234 7038766990
E-mail: cmi.okoye at unn.edu.ng
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