how can I calculate the materials in room temperature
Posted: Fri Mar 23, 2007 3:06 am
Hi
I want to calculate the cell structure at room temperature, but I do not know how to do that. I tried many times, however, the structure is the same as the result of 0K.
I read the VASP guide and I could not find an answer.
Suggestions will be appreciated!
<span class='smallblacktext'>[ Edited ]</span>
I want to calculate the cell structure at room temperature, but I do not know how to do that. I tried many times, however, the structure is the same as the result of 0K.
I read the VASP guide and I could not find an answer.
Suggestions will be appreciated!
<span class='smallblacktext'>[ Edited ]</span>