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
[SOLVED] missing rprim from output
Moderator: bguster
[SOLVED] missing rprim from output
Last edited by kengel on Tue Jul 10, 2012 4:20 pm, edited 2 times in total.
Re: missing rprim from output
The primitive vectors in my calculations are indeed the default unity matrix, which I think is why they were not printed in the output.