Dear WIEN2k users I am using WIN2K_11.1, i want to calculate the effective U in APW methods (NiO). I am following this document given on WIEN2k site http://www.wien2k.at/reg_user/textbooks/Constraint_U.pdf
First i generate structure file, then run SUPERCELL and modified it by Ni to Ni1 and copy it to NiO.struct filr secondly, i run x SGROUP and copy it to .struct file then run SCF cycle after that i replace in1, in2, incdn & incup file with the files given in the document. This is the error occur during SCF cycle, after i replace in1,in2, incup & incdn as given in the document above mention LAPW0 END LAPW1 END LAPW1 END LAPW2 END LAPW2 END CORE END forrtl: severe (24): end-of-file during read, unit 5, file /home/sohaib/Desktop/WIEN2k/NiO/NiO.inc Image PC Routine Line Source lcore 080B84ED Unknown Unknown Unknown lcore 080B7A65 Unknown Unknown Unknown lcore 08088978 Unknown Unknown Unknown lcore 0805C36A Unknown Unknown Unknown lcore 0805BC8B Unknown Unknown Unknown lcore 08071ED5 Unknown Unknown Unknown lcore 08051B9B insld_ 213 insld.f lcore 0804DC8F MAIN__ 135 hfsd.f lcore 08049F51 Unknown Unknown Unknown libc.so.6 0030ECE6 Unknown Unknown Unknown lcore 08049E61 Unknown Unknown Unknown > stop error THIS IN THE NiO.inc FILE after the error 7 1.00 1,-1,2 2,-1,2 2, 1,2 2,-2,4 3,-1,2 3, 2,4 3,-3,2 Thanks
