TURBOMOLE Users Forum

Forum General => Miscellaneous => Topic started by: akolio on October 24, 2022, 02:03:10 PM

Title: Evib module question
Post by: akolio on October 24, 2022, 02:03:10 PM

Dear colleagues,

I am doing a calculation of electron-vibration coupling using evib module. In the manual it says that by adding the line "$dfdxi textout" in the control file, you can have the matrix elements output in text format. I added that line in control, but still I only got the dfdxi output in .dat format. What am I doing wrong?

Thank you,
Athanasios

Title: Re: Evib module question
Post by: akolio on October 24, 2022, 02:42:10 PM

OK, false alarm. The .dat file is text, just a huge one.