I need help with a vibronic spectra simulation with Gaussian 16.
Hi, friends! I'm trying to simulate a vibronic spectra with Gaussian 16 employing a keyword for the output to inform me of less intense transitions. From what I've gathered from the manual, the keyword I should use is PRTINT=0.01 (and change that value as I need), but when I do, the calculation stops and an error print pops out at the end of the .log output script. It says
'Error termination in NtrErr: ntran open failure returned to fopen'
I've tried to launch the same calculation many times, with multiple inputs where the kewyord was located in different lines of the input script. None have worked. So far I've tried to write the kewyord at the end of this line: '#p freq=(readfc,fc,readfcht,savenm) cam-b3lyp/aug-cc-pvdz nosymm guess=read geom=allcheck' and on this line, 'SpecHwHm=10 SpecRes=1 InpDEner=0.101943 forcefccalc FORCEPRTSPECTRUM maxovr=200 maxcmb=200 temperature=20', at the beginning and at the end of it. The thing is that, without this keyword, the vibronic is obtained with no further problem.
Also, this error is not reported in the Gaussian Common Errors and Solutions website.
Any clue of what might be happening?
Dear Juan
I don't know why you want to add PRINT. Because as I remembered, it is used to control how much to print in the output file. But you have already p at the beginning. This may arouse the conflicts between two same commands. That may be why Guassian gives you an error in ntran and fopen, the part for write the file.
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