[QE-users] Thermo_pw interfaced with QE

James Sifuna sifunajames at gmail.com
Thu Aug 23 19:26:54 CEST 2018


Greetings,  I am trying to understand example 004 in thermo_pw,
&INPUT_THERMO

  what='scf_disp',
  nq1_d=128,
  nq2_d=128,
  nq3_d=128,
/
In the controls,  what is this nq1 ... and how do I find them.... Of course
every element / compound has it own... Right?
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