Dear users, I want to calculate ionization potential (IP) and electron affinity (EA) for a 2D material (periodic), for this I have set *tot_charge=+1* & *tot_cahrge=-1* but I need background correction due to this extra "+1" or "-1" charge in the system. To do so I have set *assume_isolated="esm"* and *esm_bc="bc1"*. Does this serve the purpose ? If not then what should I do ?
Even for above case I'm getting an error which is *Error in routine esm_cft_1z_init (1):* * no scalar fft driver specified* Any suggestion will be appreciated. Thanks and Regards, -- Manoar Hossain Research Scholar School of Physical Sciences NISER, Bhubaneswar
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