Easy fix modes - #29
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I also made an improvement on the orthogonalization to avoid loss of orthogonality that occurs after few interactions.
still some tests needs to be done!
Also a fix to be tested on the update weights
…not have stresses
…multiplication in the dynamical Lanczos
…odes. Also, now the script to plot the frequencies works
…ble. This ensemble contains a lot of q points with complex polarization vectors, is the perfect test for new scha stuff
This will be added again for the new SCHA
Put EasyFixModes update
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I think it is time to commit the merge on the EasyFixMode, as the tutorial refers to this branch, so it is good to have it committed into the master |
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The constrains on modes made easier.