! -----Version: 05.09.06 ! Comments in this file start with ! at position 1. ! ! The sructure of input data includes two parts: (a) External conditions for calculation (e.g. T and P) and ! (b) Bulk system composition given as element amounts. ! The first significant line should contain the external conditions as follows. ! ! temperature(deg C) pressure(bar) optionally-[PGAS]-ratio ! where ! [PGAS]-ratio = (fluid pressure)/(total pressure) ! ! The second and further significant lines contain the bulk composition have the following form. ! ! print-code bulk-formula use-code optional_comment ! ! where ! print-code should start at position 1 and may take the following values. ! < -1: print information about selected or rejected phases from the database. ! NO EQUILIBRIUM CALCULATED. ! =-1: print composition, considered phases and solution models. ! NO EQUILIBRIUM CALCULATED. ! = 0: short output (stable assemblage) ! = 1: long output (composition, considered phases, solution models, stable ! assemblage, activities of all phases ! ! bulk-formula is the element bulk composition written as follows. ! ELEMENT1(Amount1)ELEMENT2(Amount2)..... ! A ? for the oxygen amount instructs the program to assign exactly ! the stoiciometric oxygene atoms to the other elements. ! ! use-code controlls which phases are read from the database. Usually this is "*" ! for all phases matching the chemical system defined by bulk-formula. ! ! optional comment ! ! ----------> dont' forget: at least two blanks between items!!! <---------- ! ! For the most typical case, only one chemical input line is needed. The following lines are ! ignored. For calculation of binary or ternary diagrams however, two or three additionalchemical ! input lines are needed that define the the system«s endmember compositions. !---------------------------------------------------------------------------------------- 400 2000 0 SI(1)O(2) * coesite 0 MG(2)SI(1)O(4) * forsterite 0 NA(1)AL(1)SI(2)O(6) * jadeite 0 SI(54.39)AL(26.79)FE(6.20)MG(3.54)CA(0.60)NA(1.52)K(6.96)O(163.545)H(60)O(30) * TN307.aus tabelle 0 AL(2)SI(1)O(?) * this calculates the triple point