Benissa Darine

3 Questions 9 Answers 0 Followers

Questions related from Benissa Darine

How I Can make input fil of gaussian withe Pseudopotential for different atoms in the lanthanide complexes?

hello i want to calculate optical properties of lanthanide complexes with gaussian 09. so i take a basis sites of lanthanide atoms from this site: https://bse.pnl.gov/bse/portal but i found...

08 February 2018 851 8 View

How I Can make input fil of gaussian withe Pseudopotential for different atoms in the lanthanide complexes?

hello i want to calculate optical properties of lanthanide complexes with gaussian 09. so i take a basis sites of lanthanide atoms from this site: https://bse.pnl.gov/bse/portal but i found...

02 February 2018 1,241 10 View

Do you know this error:Subroutine NAOANL could not find a f-type ...?

I'm trying to run NBO on an G09 calculation, using the gaussian "pop=nbo" command. When the program gets to the NBO section, I get an error that I don't understand. Does anyone have any insight...

01 January 2017 6,899 0 View