Dear QE users,
I have a question about phonon procedure ph.x
As I understood from manual and tutorial, ph.x use linear response method
(DPFT). But computational efforts of this method are very sense to quantity of
atoms in supercell. Can I use ph.x for phonons calculation of frequencies for
system Fe-V with 54 atoms (full interval of different concentrations)? Or
should I use another additional program, for example, using small displacement
method?
What about hardware parameters, I work on ?Tornado SUSU? Supercomputer (
http://supercomputer.susu.ac.ru/en/computers/tornado/ ). Quantity of computing
units/processors/cores: 480/960/384/29184
Type of processor: Intel Xeon X5680 (Gulftown, 6 cores with frequency 3.33
GHz) ? 960 pcs.
Type of coprocessor: Intel Xeon Phi SE10X (61 cores with frequency 1.1 GHz)
? pcs.
RAM: 16.9 TB
Thank you.
Buldashev Ivan, student.
South Ural State University.
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