Increase number of starting trial vectors for RESPONSE?

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ejberquist
Posts: 12
Joined: 26 Feb 2014, 22:05
First name(s): Eric
Last name(s): Berquist
Affiliation: University of Pittsburgh
Country: United States

Increase number of starting trial vectors for RESPONSE?

Post by ejberquist » 19 May 2016, 17:08

Is it possible to increase the number of starting trial vectors and the initial size of the reduced subspace in the linear response module? I know about changing the maximum number of trial vectors and the maximum dimension, but not the starting values.

olav
Posts: 143
Joined: 28 Aug 2013, 06:20
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Last name(s): Vahtras

Re: Increase number of starting trial vectors for RESPONSE?

Post by olav » 19 May 2016, 17:29

Yes you can. Look in the manual for .NSTART

Regards,
Olav

ejberquist
Posts: 12
Joined: 26 Feb 2014, 22:05
First name(s): Eric
Last name(s): Berquist
Affiliation: University of Pittsburgh
Country: United States

Re: Increase number of starting trial vectors for RESPONSE?

Post by ejberquist » 20 May 2016, 16:35

Hi Olav,

I'm looking to do this for a linear response property calculation; this only seems to work when calculating the residues, which I'm not interested in.

Eric

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