File description

• File Descriptions ** win2nnkp.py Generate the nearest neighbour list of k points ** mmn2pathphase.py Calculate the Berry phase for a particuler direction
• Calculation of the Berry Phase After getting pathphase(x,y,z), obtain each value is divided by PI Make sure that the values are within the [0, 2PI] ex. -3.2 == 0.8pi normalizing.Then they are presented as Electronic phase/(2pi) ** berrypi The main file to run. It automates the 'entire' berry process ** submoduleProcess.py File used for general shell interaction through python. ** parsing.py Includes functions for parsing certain wien2k and w2w files. The data being parsed from these files is used to calculate the information needed ** errorCheck.py Includes exception handling and background checks on files. Pretty barren right now. ** config.py Important this file is used to change how the berryPyParseAutomation works and needs to be pre-configured on first use ** calculations.py Includes the necessary classes to carry out the remaining calculations at the end of the automation run ** init.sh Used to automate the install process. Can install Python 2.7.4 and Numpy 1.6.2.