any response???Search found 3 matches
- Thu Dec 20, 2012 9:42 pm
- Forum: Ground state
- Topic: Alchemical potentials
- Replies: 1
- Views: 2063
Re: Alchemical potentials
any response???- Mon Dec 17, 2012 10:51 am
- Forum: Ground state
- Topic: Alchemical potentials
- Replies: 1
- Views: 2063
Alchemical potentials
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 c...
- Sun Dec 16, 2012 4:54 pm
- Forum: Ground state
- Topic: total energy
- Replies: 0
- Views: 1504
total energy
hello every body
i calculated the total energy of CuInSe2 doped Ni and i found that its total energy is positive. what means that??
best regards
i calculated the total energy of CuInSe2 doped Ni and i found that its total energy is positive. what means that??
best regards