[Wien] Error in Fermi surface for GGA+U+SOC calculations
Anup Shakya
npshakya31 at gmail.com
Sun Aug 12 15:33:23 CEST 2018
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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