[Pw_forum] slight difference between GRID and non-GRID phonon calculations

[J. Park]

Dear all:

Now I am trying to use GRID technique in phonon calculations.
Before performing target calculations, I run the example in
PHonon/examples/GRID_example/
issuing the command "run_example".

Also, I run the same example without GRID technique by slightly changing
the scripts.

Consequently, I found the slight difference, for example, in alas.freq file
like the following:

...

271c271

<    45.0003   45.0003  112.3695  370.4536  370.4536  408.8005

---

>    45.0108   45.0108  112.3743  370.4534  370.4534  408.8002

...

303c303

<    67.5727   67.5727  198.2689  364.5470  364.5470  392.9392

---

>    67.5657   67.5657  198.2655  364.5472  364.5472  392.9399


...


Is such slight difference usual in GRID phonon calculations?


Sincerely,


Jongwon Park


Hongik Univ. in Korea
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