[Pw_forum] cholesky decomposition

Dimpy Sharma dimpy.sharma at tyndall.ie
Tue Jul 7 17:40:55 CEST 2009


Hi Quantum espresso user,

I have tried to run a calculation on a sytem using fractional coordinates of the system, however I ahve found that while suing fractioanl coordinates the itreations are not finished and in the erro it is showing problem in computing in cholesky decomposition. However while using atomic coordiantes, I can successfullt get my output, can anybody please help me .

Thanks 

Dimpy
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