Hello experts, I want to apply vdw and dipole correction on my heterogeneous cell with Cr2O3 and graphene stacked along with 13 A of vacuum. I am employing vdw_corr="XDM" with my system and want to employ dipole correction too. I am using USPP with revPBE XC functional.
I used the values of xdm_a1 and xdm_a2 from the list mentioned but under PAW pseudopotential. There was no mention of the USPP. In dipole correction I do not want any external electric field, So I used eamp = 0.000 I want to know how to determine the value for other parameters like, edir, emaxpos and eopreg? I should mention again, I do not want to apply any external field. I am attaching my input file Can someone please give some insight over this? Please also mention if you find other glitches like choice of vdw correction or pseudopotential, etc. Thank you in advance. Regards Yuvam Bhateja
single.opt_4.58_dip_dftd3.in
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