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.ok...@unn.edu.ng
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