Page 1 of 1
FREE_ORBS ?
Posted: Wed Mar 25, 2015 9:13 am
by Sharma_Omprakash
How do I use 'FREE_ORBS' block in correlation.data file to write linear combination of plane-wave and polynomial pairing orbital?
I have used START PAIRING ... END PAIRING block (as mentioned in the manual) in the correlation.data file but when I run it an error encountered "ERROR: Unknown block PAIRING in ..../Home/... " .
Re: FREE_ORBS ?
Posted: Thu Mar 26, 2015 1:59 pm
by Mike Towler
Hi Sharma,
Can you send the correlation.data file you're using..
Mike
Re: FREE_ORBS ?
Posted: Thu Mar 26, 2015 2:40 pm
by Sharma_Omprakash
Dear Sir,
Thank you for reply. Here I have attached the correlation.data and input file that is created to study the fluid phase of the electron-hole bi-layer quantum system as a beginner.
Re: FREE_ORBS ?
Posted: Fri Mar 27, 2015 8:07 am
by Mike Towler
I believe you need to embed your START/END PAIRING block inside the following structure:
START FREE_ORBS
END FREE_ORBS
Looking at the documentation, this isn't as obvious as it should be. I'll get that updated.
Cheers,
Mike
Re: FREE_ORBS ?
Posted: Fri Mar 27, 2015 8:22 am
by Sharma_Omprakash
Thank you Sir. It fixed the error.
