[SOLVED] missing rprim from output

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kengel
Posts: 28
Joined: Tue May 08, 2012 1:02 am
Location: Madison, WI, USA
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[SOLVED] missing rprim from output

Post by kengel » Fri Jul 06, 2012 6:03 pm

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
Last edited by kengel on Tue Jul 10, 2012 4:20 pm, edited 2 times in total.

kengel
Posts: 28
Joined: Tue May 08, 2012 1:02 am
Location: Madison, WI, USA
Contact:

Re: missing rprim from output

Post by kengel » Tue Jul 10, 2012 4:19 pm

The primitive vectors in my calculations are indeed the default unity matrix, which I think is why they were not printed in the output.

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