This is 95% not an indication of something wrong with your computer. The
error is indicating that the 87th row/column of your Hamiltonian is too
similar to another, so the Cholesky decomposition is failing. This most
often occurs if you have a mistake in your case.in1 file, where some of the
linear
Prof Blaha,
Thank for your reply
When I ran the "siteconfig" it would run without stoping not allowing me to
compile the program, but now it does stop and it allows me to compile
But there is something wrong in my computer in the earlier 17.1 version
I try to run a system and it stops just after
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