Dear QuantumWise staffs:
To save time to calculate Dynamic Matrix with DFT, I use two methods to test :
Method one(script 1) includes three bolcks: New calculator , Dynamical Matrix and Phonon transmission spectrum.
Method two (script 2) includes two blocks: New calculator and Dynamical Matrix(when I get this Dynamical Matrix, I use analyse from .... to calculate Phonon transmission spectrum and it just needs 8 second!) .
But the problem is that the method one have been calculating for 2 days and unfinished; the method two have finished only for 1 day 2 hours. I can't understand why these two methods need very different time. script 1 is method one(New calculator , Dynamical Matrix and Phonon transmission spectrum); script 2 is method two(New calculator and Dynamical Matrix), script 3 is the calculation of Phonon transmission spectrum analysed from Dynamical Matrix got from script 2. I will be grateful for your kindness if you can point out my mistakes.
Best regards
