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Version | Date | Comment |
1 | 12/3/2012 | initial version |
2 | 12/5/2012 | use mkl fftw |
3 | 12/7/2012 | UNSTABLE version: developers allowed to change espresso.py. Users can overwride espresso.py by putting their own espresso.py in directory $HOME/espresso |
4 | 12/10/2012 | update to the latest svn espresso-src and espresso python |
4a | 12/27/2012 | copy of v4 setup for suncat3 |
5 | 2/14/2013 | Entropy corrections added and default parameters changed (smearing type and width) |
SUNCAT Quantum Espresso Talks
Introduction (Johannes Voss): jvexternal.pdf
Accuracy (Jewe Wellendorff, Keld Lundgaard, NOTE: password protected because it contains VASP benchmark data): kelu.pdf
Speed/Convergence (AJ Medford): aj.pptx
Scaling behavior (Christopher O'Grady): espscaling.pptx