Dear QE users, I am trying to calculate transmission coefficient of graphene nanoribbon two probe system but pwcond.x is giving an error as shown
*Error in routine init_cond (1): for numerical reasons the 1st Layer of a cell should be aligned with Z=0 plane* I am taking transport in z-direction. I am attaching the input file of pwcond.x (GrapZZTran.in), and nscf file (GrapZZNSCF.in) that I used. Kindly help me in this regard. Regards Ankit Sirohi PhD Scholar IIT Patna
GrapZZTran.in
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GrapZZNSCF.in
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