Hello users,
?
I am calculating the absorption spetrum. If?I run the code turbo_lanczos.x
after performing the ground state scf, the calculation stops and I get the
error message bellow:
?
*********************************************************************************
from orthogonalize:???? error? #?? 1
degauss with gamma point algorithm
*********************************************************************************
?
Could any one help.
?
Thank you.
?
Henry Otunga
Dept. of Physics
Maseno University
Kenya
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