[Pw_forum] Calculating cell constants in different tempretures

reza vatan rezavatan64 at gmail.com
Wed Aug 26 09:25:28 CEST 2015


Dear QE Users:

I want to calculate the lattice constant of crystalline Si in different
temperatures. I tried "vc-relax" calculations with ion_temperature =
"rescaling" and tempw = 100D0 options, but it didn't work. So I just wanted
to know if any one here could help me regarding this problem?

Any comments would be highly appreciated.

Many thanks,
Reza Vatan,
Electerical Engineering Department,
Arizona State University
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