[Pw_forum] Wave functions for Post Processing

Samin, Adib J. samin.2 at buckeyemail.osu.edu
Wed Oct 15 19:43:06 CEST 2014


Dear Quantum Espresso Users,


I am interested in calculating certain electronic properties of materials after a DFT calculation. To do that, I need to be able to access the electronic wavefunctions and perform the post-processing in a different environment. However, it seems to me that the wavefunctions are not being saved in readable format and I was wondering if there was a way for me to save the wavefunctions as text files or".dat" files that can be read and processed by other software.


Any recommendations or feedback would be greatly appreciated.


Thanks,

Adib Samin


++++++++++++++++++++++++++++++

Adib Samin, PhD

Postdoctoral Researcher

The Department of Aerospace and Mechanical Engineering

The Ohio State University


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