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.
Thursday, November 12, 2009
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.
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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