*********************************************************************************************************************** * * * EOSFIT7c * * * * Authors: RJ ANGEL, J GONZALEZ-PLATAS, M ALVARO * * Version date: 28-Feb-2017 * * Version: 7.35 * * * * * * INCLUDING LEAST SQUARES BY I.G. WOOD & J. PIPER AND USING THE CrysFML EOS MODULE. * * * * EosFit7c: Angel, Gonzalez-Platas, Alvaro (2014) Zeitschrift fuer Kristallographie, 229:405-419. * * Phase Transitions: Angel et al (2016) Contribs Min Pet, submitted. * * Fitting Moduli: Milani et al. (2016) Amer Min, accepted. * * * * Development supported by ERC grant 307322, INDIMEDEA to F. Nestola, * * SIR-MIUR grant RBSI140351, MILE DEEp, to M. Alvaro, and * * Programa de Redes de Excelencia MAT2015-71070-REDC to J. Gonzalez-Platas * * * * * * Current date and time: 1-MAR-2017 11:38 * * * *********************************************************************************************************************** EosFit parameter file This is a fixed-format file. If you edit this file, make sure you do not move anything! It is safer to change the parameters by loading the file to EosFit, and saving the file after making changes ____________________________________________________________________________________________________________ Title =Quartz Volume-PT full transition model with curved boundary (Angel et al 2017) Savedate =20-OCT-2020 at 13:56 Comment =V0 set to give 22.69cm3/mol at STP Comment =Includes softening in both phases following Angel et al (2016) Comment =Fitted to TV data of Carpenter (1998) and PV data of Angel et al (1997) Comment =And isothermal KReuss (with T) from Lakshtanov et al (2007) Comment =And adiabatic KReuss at P from Wang et al (2015) System =Trigonal Model = 5, (Tait) Order = 3 Thermal = 1, (Berman 1988) Cross = 1, (Linear dK/dT) Trans = 3, (Landau PVT) Shear = 0, (none) Type = Volume Pref = 0.00000 Tref = 298.00000 Pscale =GPa Vscale =A3/cell Stoich = 1.00000 Param = 1 118.2200 (V0 , Reference pressure volume: units are A3/cell) Param = 2 64.279808 (K0 , Bulk modulus: units are GPa) Param = 3 5.071408 (Kp , dK/dP: dimensionless) Param = 4 -0.078896 (Kpp , d2K/dP2: units are inverse GPa) Param = 5 0.000000 Param = 6 0.000000 Param = 7 0.000000 Param = 8 0.016000 (dK/dT, dK/dT units are GPa/K) Param = 9 0.000000 Param =10 -0.468756 (alph0, Constant of thermal expansion x10^5 K^-1) Param =11 0.000000 (alph1, Linear term thermal expansion x10^8 K^-2) Param =12 0.000000 Param =13 0.000000 Param =14 0.000000 Param =15 0.000000 Param =16 0.000000 Param =17 0.000000 Param =18 1.000000 (Gamm0, Gruneisen parameter at Tref,Pref) Param =19 0.000000 (q , Gruneisen power law in V/V0) Param =20 1.000000 (High , Indicator = +1 if high T phase is high sym phase) Param =21 847.000000 (Ttr , Transition temperature at P=0) Param =22 270.000000 (Ttr-P, Ttr=Ttr0 + uP + vP^2: P coeff) Param =23 -10.000000 (TtrP2, Ttr=Ttr0 + uP + vP^2: P^2 coeff) Param =24 -1.884705 (aL , Scaling parameter, low phase x10^3) Param =25 0.500000 (betaL, Power law term, low phase) Param =26 0.706630 (aH , Scaling parameter, high phase x10^3) Param =27 0.250000 (betaH, Power law term, high phase) Param =28 0.000000 Param =29 0.000000 Param =30 Inf Param =31 0.000000 Param =32 0.000000 Param =33 0.000000 Param =34 0.000000 Param =35 0.000000 Param =36 0.000000 Param =37 0.000000 Param =38 0.000000 Param =39 0.000000 Param =40 0.000000 Variance-Covariance matrix= 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.25898E-04-0.37121E-05 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 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0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 *********************************************************************************************************************** * * * EOSFIT7c * * * * Authors: RJ ANGEL, J GONZALEZ-PLATAS, M ALVARO, ML MAZZUCCHELLI * * Version date: 29-April-2020 * * Version: 7.52 * * * * * * INCLUDING LEAST SQUARES BY I.G. WOOD & J. PIPER AND USING THE CrysFML EOS MODULE. * * * * EosFit7c: Angel, Gonzalez-Platas, Alvaro (2014) Zeitschrift fuer Kristallographie, 229:405-419. * * Phase Transitions: Angel et al (2017) Contribs Min Pet, DOI:10.1007/s00410-017-1349-x * * Fitting Moduli: Milani et al. (2017) Amer Min, DOI:10.2138/am-2017-5855 * * * * Development currently supported by ERC grant 714936, TrueDepths to M. Alvaro, and * * MINECO and EU-FEDER in project MAT2016-75586-C4-4-P to J. Gonzalez-Platas * * * * !!!!!DEVELOPMENT VERSION, NOT FOR GENERAL RELEASE!!!!! * * * * * * Current date and time: 4-MAY-2020 08:40 * * * *********************************************************************************************************************** EosFit parameter file This is a fixed-format file. If you edit this file, make sure you do not move anything! It is safer to change the parameters by loading the file to EosFit, and saving the file after making changes ____________________________________________________________________________________________________________ Title =Quartz full transition model with curved boundary for a-axis (Alvaro et al 2020) Savedate = 4-MAY-2020 at 08:40 Comment =L0 set to give 4.914A at STP Comment =Includes softening in both phases following Angel et al (2016) Comment =Fitted to a-T data of Carpenter (1998) and a-P data of Angel et al (1997) Comment =And isothermal MReuss (with T) from Lakshtanov et al (2007) Comment =And adiabatic MReuss at P from Wang et al (2015) System =Trigonal Model = 5, (Tait) Order = 3 Thermal = 1, (Berman 1988) Cross = 1, (Linear dK/dT) Trans = 3, (Landau PVT) Shear = 0, (none) Osc2 = 0, (none) Osc3 = 0, (none) Type = Linear Direction =[1 0 0] Pref = 0.00000 Tref = 298.00000 Pscale =GPa Vscale =A/cell Stoich = 1.00000 Param = 1 4.99920 (L0 , Reference pressure length: units are A/cell) Param = 2 172.069 (M0 , Linear modulus: units are GPa) Param = 3 7.46039 (Mp , dM/dP: dimensionless) Param = 4 -0.1301 (Mpp , d2M/dP2: units are inverse GPa) Param = 5 0.00000 Param = 6 0.00000 Param = 7 0.00000 Param = 8 0.06600 (dM/dT, dM/dT units are GPa/K) Param = 9 0.00000 Param =10 -0.1195 (alph0, Constant of thermal expansion x10^5 K^-1) Param =11 0.00000 (alph1, Linear term thermal expansion x10^8 K^-2) Param =12 0.00000 Param =13 0.00000 Param =14 0.00000 Param =15 0.00000 Param =16 0.00000 Param =17 0.00000 Param =18 1.00000 (Gamm0, Gruneisen parameter at Tref,Pref) Param =19 0.00000 (q , Gruneisen power law in V/V0) Param =20 1.00000 (High , Indicator = +1 if high T phase is high sym phase) Param =21 847.000 (Ttr , Transition temperature at P=0) Param =22 270.000 (Ttr-P, Ttr=Ttr0 + uP + vP^2: P coeff) Param =23-10.0000 (TtrP2, Ttr=Ttr0 + uP + vP^2: P^2 coeff) Param =24 -0.8925 (aL , Scaling parameter, low phase x10^3) Param =25 0.46770 (betaL, Power law term, low phase) Param =26 0.24957 (aH , Scaling parameter, high phase x10^3) Param =27 0.25000 (betaH, Power law term, high phase) Param =28 0.00000 Param =29 0.00000 Param =30 Inf Param =31 0.00000 Param =32 0.00000 Param =33 0.00000 Param =34 0.00000 Param =35 0.00000 Param =36 0.00000 Param =37 0.00000 Param =38 0.00000 Param =39 0.00000 Param =40 0.00000 Param =41 298.000 Param =42 1.00000 Param =43 1.00000 Param =44 0.00000 Param =45 0.00000 Param =46 298.000 Param =47 1.00000 Param =48 1.00000 Param =49 0.00000 Param =50 1.00000 Param =51 1.00000 Param =52 1.00000 Param =53 1.00000 Param =54 1.00000 Param =55 1.00000 Param =56 1.00000 Param =57 1.00000 Param =58 1.00000 Param =59 1.00000 Variance-Covariance matrix= 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 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