Dear All, I am performing the vc-relax calculation of a heterostructure. But after first cycle, " problems computing cholesky " this error is appearing. I am using paw functionals with lda potentials. Can anyone throw light on this error, i.e. why this error is coming, and how we can remove this error. My input file is attached.
Regards. -- Amreen Bano Research Scholar, Super-Conductivity Research Laboratory, Department of Physics, Barkatullah University, Bhopal-462 026 INDIA +91-9993515955 [email protected] -- Amreen Bano Research Scholar, Super-Conductivity Research Laboratory, Department of Physics, Barkatullah University, Bhopal-462 026 INDIA +91-9993515955 [email protected]
mos2+srtio3(less).in
Description: Binary data
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