Thursday, November 12, 2009

Phonons From P H O N

Mr. Phonon ?

Yap, recently I got some interst in his preopoerties...some time acoustic and some time optical...

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I used Dario Alfe's code PHON to calculate the phonon, which is based on 'small displacement' method ( a numerical way Vs. linear response method).

Here I will present my calc. of ZPE of some systems with PHON code and with linear response methods: say, with QuantumEspress.

Friday, November 6, 2009

Book Review: [1] : Classical Fortran : M Kupferschmid

Hello, in this month I would like to finish some book reviews only.

In first, the book: Classical Fortran.

I know you will ask;

Why this particular book in F77 ?


- because it say what it is about - 'programming for Engineering and Scientific applications'.


Are you sure?

Yes!

People still need and use of Fortran 77 programs, you cant stop this beautiful procedural language - on which the entire numerical calcs of engineering/science were done in 60s,70s and in the 80s.

And I noted, the authour, Michael grows his f77 skills in this period ...

he know what he do ...

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