Dear Siesta users, I want to calculate the Born effective charge in a unit cell of SnO2. Since I am running in parallel, so it gives the following error
Error in Cholesky factorisation in cdiag But with single processor doesn't gives any error. I saw the the mailing archives, where it is written, it a general problem in mkl libraries But I am using AIX IBM machines with mpxlf compiler and libraries. So can any body tell me what the problem is? Bipul Rakshit SRF DAE-BRNS Computational Research Lab. Barkatullah University, Bhopal 462 026, India Mob.: +919406540952 Add more friends to your messenger and enjoy! Go to http://messenger.yahoo.com/invite/
sno2.out
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