Re: [Pw_forum] Wave functions for Post Processing

2014-10-15 Thread Robert Hembree
There are a number of approaches you can take. Firstly, if you read the source code, specifically the code for pw_export.x, you can give yourself a pretty decent idea of how the wavefunctions are stored and accessed by pw.x. Secondly, if you use pw_export.x then you can export the wavefunction

[Pw_forum] Wave functions for Post Processing

2014-10-15 Thread Samin, Adib J.
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