Dear users and developers, I have questions that might have been already posted but I could not find. I am working on calculating the electronic transport properties for systems that have graphene. My first question is do I need to do both relax and vc-relax or relax should be sufficient? If I relax and vc-relax the graphene sheet before inserting it in my system and relax the whole system after the insertion, do I need to do vc-relax the whole system if I see relax results are good enough? I am asking these questions because I keep getting the error message about too many g-vectors or g-vectors missing despite the fact that I have increased cutoff energy too much, modified the cell, and checked or changed any possible parameter that can lead to such error. I will really appreciate any feedback or suggestions. Thanks in advance and my apology for any inconvenience.
I appreciate your time Zeina -- Zeina Salman PhD Candidate Microelectronics and Photonics Graduate Program University of Arkansas Fayetteville, AR 72701 Office: PHYS 244 Email: zaldo...@email.uark.edu <cxm...@email.uark.edu>
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