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setting the MaxGvecs variable to a lower value
Posted: Thu Jan 06, 2011 10:00 am
by Elham
Dear All,
I wish to set the MaxGvecs variable to a lower value. At first i run yambo -i, then yambo, then yambo -i -V RL
But the MaxGvecs doesnot change. I do this for the SiH4 example.
regards
Elham
Re: setting the MaxGvecs variable to a lower value
Posted: Thu Jan 06, 2011 12:03 pm
by Daniele Varsano
Dear Elham,
what you have to do is just to set the value of the variable in the input file,
probably you have a database of a previous calculation with more Gvecs. In this
case, remove your ./SAVE/ndb.gops and rerun yambo withe the new input file.
If this is not the problem, please post the input and report files.
Cheers,
Daniele
PS: please add you affiliation in the signature, you can do it editing your profile
Re: setting the MaxGvecs variable to a lower value
Posted: Thu Jan 06, 2011 2:05 pm
by Elham
Dear Daniele
Please find in the attachment yambo.in and reportfile.
Would you please let me know how I can fix the problem and reduce the MAXGvecs.
Regards
Elham
IASBS
Re: setting the MaxGvecs variable to a lower value
Posted: Thu Jan 06, 2011 2:25 pm
by claudio
Dear
in your input file there is the line
MaxGvecs= 90447 RL
edit the yambo.in file and change this line in:
MaxGvecs= 50447 RL
and then run yambo
Cla