*********************************************************************************************************************** * * * EOSFIT7c * * * * Authors: RJ ANGEL, J GONZALEZ-PLATAS, M ALVARO * * Version date: 6-JUNE-2014 * * Version: 7.10 * * * * * * INCLUDING LEAST SQUARES BY I.G. WOOD & J. PIPER * * AND USING THE CrysFML EOS MODULE: * * Angel, Gonzalez-Platas, Alvaro (2013) Eosfit-7c and a * * Fortran module for equation of state calculations. * * Zeitschrift fuer Kristallographie, 229:405-419. * * * * Development supported by ERC grant 307322 to F. Nestola. * * * * * * * * * * * * Current date and time: 20-JUN-2014 13:21 * * * *********************************************************************************************************************** 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 =PV_quartz EoS Comment =high pressure equation of state for quartz Comment =Data taken from Angel et al. (1997), J. App. Cryst. 30:461 System =Trigonal Model = 2, (Birch-Murnaghan) Order = 3 Thermal = 0, (none) Type = Volume Pref = 0.00000 Tref = 298.00000 Pscale = GPa Param = 1 112.980888 (V0 , Reference pressure volume: units as volume data) Param = 2 37.125893 (K0 , Bulk modulus: same units as pressure data) Param = 3 5.988268 (Kp , dK/dP: dimensionless) Param = 4 -0.264785 (Kpp , d2K/dP2: inverse pressure units) 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 Variance-Covariance matrix= 0.39321E-05-0.37237E-04 0.10697E-04 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 -0.37237E-04 0.82844E-02-0.39926E-02 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 0.10697E-04-0.39926E-02 0.20513E-02 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 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 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