Alchemical potentials
Posted: Mon Dec 17, 2012 10:51 am
hello every body
i'm working on CuInSe2 i'm trying to do a doping with Ga.
i used mixing alchemical potentials.
my problem is:
after calculation, when i try to visualize the structure i can not find Indium or Gallium atoms .
here it is my input file( ecut and ngkpt are low this is just to speed up calculation)
Best regards
i'm working on CuInSe2 i'm trying to do a doping with Ga.
i used mixing alchemical potentials.
my problem is:
after calculation, when i try to visualize the structure i can not find Indium or Gallium atoms .
here it is my input file( ecut and ngkpt are low this is just to speed up calculation)
Best regards
