Hi there,
My scf calculation runs sucessfully hwoever the calculation is crashing if I
perform the nscf calculation.Only changes I have made is I have taken 15 k
points in my nscf calculation.The error message shows as follows :
task # 15
from pzpotrf : error # 30
problems computing cholesky decomposition
Suggestions welcome!
Dimpy
UCC
Ireland
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