[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20090707/244699d9/attachment.html>
More information about the users
mailing list