*********************************************************************************************************************** * * * EOSFIT7c * * * * Authors: RJ ANGEL, J GONZALEZ-PLATAS, M ALVARO * * Version date: 8-Nov-2016 * * Version: 7.34 * * * * * * 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: 9-NOV-2016 09:52 * * * *********************************************************************************************************************** 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 PV EoS at Room Temperature, Scherdl et al (2016) Savedate = 9-NOV-2016 at 09:52 Comment =J. Applied Crystallography, vol 49. doi:10.1107/S1600576716015351 Comment =Fit to 94 PV data up to 19 GPa, in several different P media, no nonhydro stress detected Comment =All volume data are by single-crystal diffraction Comment =Pressures based on ruby pressure scale of Jacobsen et al (2008) System =Trigonal Model = 2, (Birch-Murnaghan) Order = 4 Thermal = 0, (none) Trans = 0, (none) Shear = 0, (none) Type = Volume Pref = 0.00000 Tref = 298.00000 Pscale =GPa Vscale =A3/cell Stoich = 1.00000 Param = 1 112.967644 (V0 , Reference pressure volume: units are A3/cell) Param = 2 37.023453 (K0 , Bulk modulus: units are GPa) Param = 3 6.654295 (Kp , dK/dP: dimensionless) Param = 4 -0.729518 (Kpp , d2K/dP2: units are inverse GPa) Param = 5 0.000000 Param = 6 0.000000 Param = 7 0.000000 Param = 8 0.000000 Param = 9 0.000000 Param =10 0.000000 Param =11 0.000000 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 0.000000 Param =19 0.000000 Param =20 0.000000 Param =21 0.000000 Param =22 0.000000 Param =23 0.000000 Param =24 0.000000 Param =25 0.000000 Param =26 0.000000 Param =27 0.000000 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= 0.74919E-05-0.68501E-04 0.25019E-04-0.93107E-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 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 -0.68501E-04 0.11888E+00-0.72845E-01 0.28296E-01 0.00000E+00 0.00000E+00 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