[Pw_forum] ATOM MASS

Suza W suza.rri at gmail.com
Thu Nov 20 13:32:18 CET 2014


Hi All,

amass(1)=100  and  amass(1)=50   both give the same phonon frequencies.

This means, amass is read from the PAW file and not from the input phonon
file.

That is not useful for the case where one wants to change the atom mass
manually to see
how phonons shift with mass ratio. Could anyone please say to me where I
can overwrite this
default mass value and put an artificial mass value as I wish.


Thanks in advance,

Yours sincerely,
Suza W.
Department of Physics,
Kakatiya University.
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