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fireballtg_file_formats [2009/11/01 11:05] admin |
fireballtg_file_formats [2009/11/01 11:12] admin |
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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: | There is a list of sections: | ||
+ | * OPTIONS | ||
+ | * OUTPUTS | ||
+ | * QUENCH | ||
+ | * MESH | ||
+ | * TDS | ||
====== SECTION: OPTIONS ====== | ====== SECTION: OPTIONS ====== | ||
Line 95: | Line 100: | ||
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. | ||