Sometimes we have imaginary frequencies for our materials. And QE prints them out in negative numbers. If the number is too long, it may coalesce with the previous one, like below:
So this will cause read_frequency_file not be able to read the frequencies correctly. In this change I want to make it split either at a minus sign or at a space.
Sometimes we have imaginary frequencies for our materials. And QE prints them out in negative numbers. If the number is too long, it may coalesce with the previous one, like below:
So this will cause
read_frequency_filenot be able to read the frequencies correctly. In this change I want to make it split either at a minus sign or at a space.