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Input file for optimization

Posted: Tue Jan 28, 2020 7:15 am
by hameed1987
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

Re: Input file for optimization

Posted: Sun Feb 09, 2020 12:18 am
by ebousquet
Dear Hameed,
This flag is what you are looking for:
https://docs.abinit.org/variables/rlx/#strtarget
Best wishes,
Eric