[Pw_forum] Input preparation

Vasumathi Velachi vas at fc.up.pt
Mon Apr 30 16:26:27 CEST 2012


Dear All
I am very new to using Quantum Espresso. I have pdb file for my system 
(CNT-dendrimer). I would like to calculate the charge transfer between 
them.
Is there any way to convert pdb file to input file to run in Quantum 
Espresso or one has to write manually?
Thanking you in advance.
-- 
Vasumathi Velachi




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