Suraj Gyawali

2 Questions 14 Answers 0 Followers

Questions related from Suraj Gyawali

#Bader_Charge #Density Functional Theory #Charge transfer study ?

Hello all, I am trying to study charge transfer between transition metal clusters composed of 13 atoms and the different planes (mainly , , and ) of rutile surfaces. After performing geometry...

07 December 2018 7,388 11 View

Plotting charge density in a plane

Dear all, I am trying to plot 1D charge density difference using vasputil. As per as instruction it says " Use the vasputil_chgarith tool to create a suitable input charge density file (e.g. the...

01 January 1970 1,561 14 View