The summation of all projectors times spin degeneracy is not equal to num_wann

[Pacome Nguimeya]

Dear WT users and experts,

I am trying to calculate surface states on the 001 surface of SrSi2 but WannierTools keep crashing and generating the following error messages:

sum(Origin_cell%nprojs), num_wann, num_wann/2
28                            79                 39
ERROR: Maybe the SOC tags in the SYSTEM is wrongly set
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG
STOP ERROR: the summation of all projectors times spin degeneracy is not equal to num_wann
sum(Origin_cell%nprojs), num_wann, num_wann/2
28                            79                39
ERROR: Maybe the SOC tags in the SYSTEM is wrongly set
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG
STOP ERROR: the summation of all projectors times spin degeneracy is not equal to num_wann

Below are my projections:

PROJECTORS
3 3 3 3 2 2 2 2 2 2 2 2 ! number of projectors
Sr s,p,d
Sr s,p,d
Sr s,p,d
Sr s,p,d
Si s,p
Si s,p
Si s,p
Si s,p
Si s,p
Si s,p
Si s,p
Si s,p

I have used the following settings to generate the Wannier90 hr.dat file:

num_wann = 79
num_bands = 79

and

begin projections
random
end projections

Has anyone have an idea about what could be the problem?

Thanks

[Author]

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