Dear All, I am having problems in calculating the Fermi surface of a system using GGA+SOC+U. I have calculated DOS and band structure and the calculations were fine. For Fermi surface calculations I performed the following steps:
x kgen x lapw1 -orb -up -p x lapw1 -orb -dn -p x lapwso -orb -up -p cp case.outputso_1 case.outputso_1...> case.output1 x lapw2 -so -fermi -p But then I am getting an error Error in LAPW2 'LAPW2' - can't open unit: 18 'LAPW2' - filename: case.vsp 'LAPW2' - status: old form: formatted I have a doubt on the steps that I have performed. Please suggest me what mistake I have done. Sincerely, Anup Pradhan Sakhya
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