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
Input file for optimization
Moderator: bguster
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hameed1987
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Input file for optimization
Dear All,
WR
Hameed
WR
Hameed
Re: Input file for optimization
Dear Hameed,
This flag is what you are looking for:
https://docs.abinit.org/variables/rlx/#strtarget
Best wishes,
Eric
This flag is what you are looking for:
https://docs.abinit.org/variables/rlx/#strtarget
Best wishes,
Eric