SET_ALL_START_VALUES
This command is available for the POLY and ED-EXP modules.
Set start values, e.g. if the calculation fails or if you have a miscibility gap or ordering. If temperature and pressure are not conditions, you are asked for values of them. Then for each phase prompt on if it should be stable and on its constitution.
Syntax |
set_all_start_values |
T /XXXX/: <Temperature in K> If the temperature is not a condition, supply a guess of its final value (in K). |
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P /100000/: <Pressure in Pa> If the pressure is not a condition supply a guess of its final value (in Pa). |
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Prompts |
Automatic start values for phase constitutions? /N/: <Y, N or F>
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Should <phase> be stable /N/: <Y/1 or N/2> A guess if this phase should be stable or not is requested. All entered phases are prompted for this question and next two. You cannot have more phases stable than you have components, but at least one (which dissolves all constituents) must be set as stable. For backward compatibility, this question can be answered by 1 (for Yes) or 0 (for No). The |
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Major constituent(s): <Name of major constituent(s) in the phase> The constituent with the largest fraction in the phase should be specified. If there are more than one constituent with a large fraction, give them all on the same line. If the default major constituents should be used answer with an asterisk (*). By giving $ the constitution is not changed. If there should be no major constituent give NONE and or if the major constituent(s) are improperly specified, you are asked for individual fractions in the phase. |
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Y(<phase>,<constituent>) /.XXXXXXXXXX/: <.YYYYY> The current value ( The phase name or constituent name may have a hash sign # followed by a digit, e.g. |