It looks like it is starting to curve at the volume of 10575.3364. So
you probably need calculations at smaller volumes.
On 9/8/2015 7:43 PM, Marzieh Gh wrote:
Dear Prof.Blaha & Tran
I have calculated optimization of supercell (1*1*2). But Energy vs
Volume is linear!
case.outputeos:
10575.3364-88567.151612
11162.8553-88566.366642
12925.4112-88561.471064
11750.3745-88565.095045
12337.8929-88563.437182
Is this normal?If no what is reason? What do I do?
Please help me
Best Regards
--
Marzieh Ghoohestani
PhD Student of Computational Nano Physics
Nano Research Center, Department of Physics
University of Technology, Isfahan, Iran
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
