In a spin-polarized case, you have to calculate both spins (up and dn),
before you can run x lapw2 -up -fermi
Probably this cannot be done directly in xcrysden, but you need to execute
x lapw1 -dn in a terminal window.
On 05/05/2015 01:40 PM, Sikander Azam wrote:
Resp. All
Calculating the Fermi surface, I am facing the following problem, please
help me.
Error in lapw2
'FERMI" -# of k-points in up and down not equal:
'FERMI" -k1, 224 225 check INPUTS OF LAPW1
With best regards
sikander
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