Input file for optimization

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hameed1987
Posts: 41
Joined: Sat Jun 22, 2019 12:45 pm
Location: The UK

Input file for optimization

Post by hameed1987 » Tue Jan 28, 2020 7:15 am

Dear All,
I would like to make optimization for a perovskite structure by changing pressure from 1 to -1 Gpas,

Please one of you tell me how to increase pressure in abinit input file for this optimization?

I mean how to write or mention this in input file, in order to make optimization for every pressure

Regards
Hameed
Dear All,


WR
Hameed

ebousquet
Posts: 469
Joined: Tue Apr 19, 2011 11:13 am
Location: University of Liege, Belgium

Re: Input file for optimization

Post by ebousquet » Sun Feb 09, 2020 12:18 am

Dear Hameed,
This flag is what you are looking for:
https://docs.abinit.org/variables/rlx/#strtarget
Best wishes,
Eric

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