Page 1 of 1

[SOLVED] missing rprim from output

Posted: Fri Jul 06, 2012 6:03 pm
by kengel
Hello:

Is there a reason that ABINIT would ever not print the values of the rprim variable at the end of a calculation in the log/out file? This has been happening to me recently, but it never occured before. I am wondering if means that rprim are the default values, but it seems that ABINIT usually prints the value of the input variables even when they are default.

I need the rprim values to initialize other calculations. For example, after running a job with ionmov = 2 and optcell = 0, running a job with optcell /= 0.

Thank you,
Kale

Re: missing rprim from output

Posted: Tue Jul 10, 2012 4:19 pm
by kengel
The primitive vectors in my calculations are indeed the default unity matrix, which I think is why they were not printed in the output.