setting the MaxGvecs variable to a lower value

Elham · Post by **Elham** » Thu Jan 06, 2011 10:00 am

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

Post by **Daniele Varsano** » Thu Jan 06, 2011 12:03 pm

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

Elham · Post by **Elham** » Thu Jan 06, 2011 2:05 pm

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

Post by **claudio** » Thu Jan 06, 2011 2:25 pm

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

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setting the MaxGvecs variable to a lower value

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