Exporting DynamicalMatrix with higher precision

[Fabian Ducry]

Dear all I have computed the DynamicalMatrix of a system. Now I would like to export the matrix. Using

Code

 dynamical_matrix.nlprint('dynamical_matrix.txt')

prints the matrix at the available k-point to the file dynamical_matrix.txt. However, it does so only up to two decimals. Is there a way to increase the precision? Alternatively, how could I access the data in the object? Then I could write my own print function. Thanks in advance! Fabian Ducry

[Anders Blom]

It's doable, but not as easily as for some other objects we have. We don't want to publicly give out the solution just now (just because it involves a lot of internal stuff which may confuse people more than help, if they find this post in the future), but if you email support@quantumwise.com we can provide it privately.

What I also think we should do is to change the printing from currently %10.2f to something better (fixed precision, not fixed decimals). We can probably get that done in the 2017 final release.

[Fabian Ducry]

Thank you for the reply. I will do as you suggested.

Fabian Ducry