My question is why I am getting a charged cell at all even if the cif file is neutral. however, when I make input file using cif file of paracetamol (image and source file attached), it always gives me charged unit cell. I can optimize charged cell but my software (https://www.crystal.unito.it/index.php) refuse to calculate the IR and RAMAN spectra for charged system.

My question is why I am getting a charged cell at all even if the cif file is neutral.

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