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QuantumATK => General Questions and Answers => Topic started by: harkishan_dua on July 15, 2020, 20:35

Title: Error during phonon transmission calculation
Post by: harkishan_dua on July 15, 2020, 20:35

In case of phonon transmission calculation using semiemperical calculator I am facing a problem every time. The calculation is terminated by showing an error pair potential not found. Kindly suggest me how to overcome this.

Title: Re: Error during phonon transmission calculation
Post by: Daniele Stradi on July 16, 2020, 11:59

Hello,

Could you please attach the script that you are using ?

Best regards,
Daniele

Title: Re: Error during phonon transmission calculation
Post by: harkishan_dua on July 17, 2020, 16:05

Here I am attaching the script that I have used for the calculation