[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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