5 Questions 1 Answers 0 Followers
Questions related from Ranajit Saha
Hello All, I have aquery associated with the NBO analysis along with the $CHOOSE keyword. I performed the following calculation using the $choose keyword in NBO analysis. The system was singlet...
22 September 2023 7,081 0 View
Hello Everyone, Currently, I am using . I facing an error that I do not understand the reason for. Using B3LYP functional, the EDA is running well and ends without any error. But while using...
27 October 2021 2,459 0 View
Hello NCIplot users, I am trying to generate a reduced density plot using NCIPLOT. The system is periodic and has a triclinic space group. I am using the promolecular approach considering the...
24 August 2021 8,936 3 View
Hello All, I am using Multiwfn Version 3.8(dev) in MacOS 10.15 (Catalina) with the help of wine64. This works as well as the windows version for the calculation. I am facing a problem during the...
12 July 2021 3,536 0 View
Dear All, I need to draw Pd nano-particles having a diameter ~1 nm. Pd crystallises in FCC form. Is there any software or script that can draw FCC crystals of metals with different shapes like...
27 December 2018 4,479 0 View
