Dear All

I am working on a FC calculation on a large system. I know that we can split the calculation over every atoms in the unit cell. But in my case the FC calculation stop at the 6th step because of the walltime, and I don't want to repeat the previous 5 steps with more CPU cores again (usesavedata has been used).

Could anyone please tell me if it is possible that we do only one displacement on a certain direction (let say +z direction) of one atom to calculate the force constants, and then combine the FC file together with the previous 5 steps of the same atom. Thanks.

Regards,
Tao


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