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fireballtg_file_formats [2009/11/01 11:06] admin |
fireballtg_file_formats [2009/11/24 12:46] jelen |
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- | Here you can find a list of parameters defined in **''fireball.in''** file and their default settings | + | Here you can find a list of parameters defined in **//fireball.in//** file and their default settings |
Begin of each section is defined by a line containing **''&NAMELIST''** and ended by a line containing a string **''&END''**. | Begin of each section is defined by a line containing **''&NAMELIST''** and ended by a line containing a string **''&END''**. | ||
- | There is a list of sections: | + | If more than one section with the same name is defined only the first listed instance is considered. |
+ | List of the active sections: | ||
* OPTIONS | * OPTIONS | ||
* OUTPUTS | * OUTPUTS | ||
* QUENCH | * QUENCH | ||
* MESH | * MESH | ||
+ | * TDS | ||
+ | A detail list of variables of the each section follows bellow: | ||
====== SECTION: OPTIONS ====== | ====== SECTION: OPTIONS ====== | ||
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g0(1:3) = 0.0d0 | g0(1:3) = 0.0d0 | ||
+ | ====== SECTION: TDS ====== | ||
+ | |||
+ | netime = 1000 ! no. of electron time steps within one MD step | ||
+ | nexcite = 0 ! no. of excitations | ||
+ | idelec = 0 | ||
+ | hoccup = 0.0d0 | ||
+ | eband = 0 | ||
+ | np2es = -1 | ||
+ | isp2es = .false. | ||