[Pw_forum] How to set "electrons" parameters in ph.x ?

xirainbow nkxirainbow at gmail.com
Mon Apr 15 07:59:54 CEST 2013


Dear all:

          In my calculations(QE 5.0), the *"beta"* and *"diagonalization"*
 in **.ph.out* of *ph.x* is different from the **.scf.out* file of *pw.x*.

           I set
*"mixing_beta = 0.3*
*diagonalization = 'cg'  " *
in scf calculation(pw.x). Then, I find the right parameters in *.scf.out
file.

           However, in the **.ph.out* file, I  find:
*"beta  =    0.7000*
*Davidson diagonalization with overlap"    *
in *.ph.out file.

           How to set the "*mixing_beta *and* diagonalization*" parameters
in *ph.x*?

           Thanks in advance:)


-- 
____________________________________
Hui Wang
School of physics, Fudan University, Shanghai, China
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