[Pw_forum] quantum espresso - pdb as input
Mohan maruthi sena
maruthi.sena at gmail.com
Sat Apr 11 14:59:49 CEST 2015
Hi all,
I want to perform adsorption studies on a system using pdb as
input. I do not want to consider cif structure as i made some changes to
structure. The total atoms in pdb structure are 2632. Please find the
attached input file, I am a novice user of quantum espresso. I just want to
confirm whether input that i have considered is correct or wrong?
Thank you in advance for a reply,
Mohan
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