TURBOMOLE Users Forum
Forum General => Miscellaneous => Topic started by: akolio on October 24, 2022, 02:03:10 PM
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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
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OK, false alarm. The .dat file is text, just a huge one.