[Pw_forum] Cholesky decompsition in nscf calculation
Dimpy Sharma
dimpy.sharma at tyndall.ie
Wed Feb 10 12:14:09 CET 2010
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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