mirror of https://gitlab.com/QEF/q-e.git
471 lines
25 KiB
Plaintext
471 lines
25 KiB
Plaintext
RUNNING , /home/giannozz/q-e-pseudolib/test-suite/..//bin/cp.x -input si-vbc-lda-2.in
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Program CP v.6.5 starts on 24Apr2020 at 20:26:41
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This program is part of the open-source Quantum ESPRESSO suite
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for quantum simulation of materials; please cite
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"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
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"P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
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URL http://www.quantum-espresso.org",
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in publications or presentations arising from this work. More details at
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http://www.quantum-espresso.org/quote
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Parallel version (MPI), running on 1 processors
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MPI processes distributed on 1 nodes
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Fft bands division: nmany = 1
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Reading input from si-vbc-lda-2.in
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Job Title: Silicon vbc
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Atomic Pseudopotentials Parameters
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----------------------------------
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Reading pseudopotential for specie # 1 from file :
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/home/giannozz/q-e-pseudolib/test-suite/..//pseudo/Si.pz-vbc.UPF
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file type is UPF v.2
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Main Simulation Parameters (from input)
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---------------------------------------
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Restart Mode = 1 restart
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Number of MD Steps = 50
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Print out every 50 MD Steps
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Reads from unit = 50
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Writes to unit = 50
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MD Simulation time step = 12.00
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Electronic fictitious mass (emass) = 800.00
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emass cut-off = 2.00
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Simulation Cell Parameters (from input)
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external pressure = 0.00 [KBar]
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wmass (calculated) = 31117.79 [AU]
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ibrav = 14
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alat = 10.60000000
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a1 = 10.60000000 0.00000000 0.00000000
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a2 = 0.00000000 10.60000000 0.00000000
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a3 = 0.00000000 0.00000000 10.60000000
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b1 = 0.09433962 0.00000000 0.00000000
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b2 = 0.00000000 0.09433962 0.00000000
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b3 = 0.00000000 0.00000000 0.09433962
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omega = 1191.01600000
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Energy Cut-offs
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---------------
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Ecutwfc = 16.0 Ry, Ecutrho = 64.0 Ry, Ecuts = 64.0 Ry
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Gcutwfc = 6.7 , Gcutrho = 13.5 Gcuts = 13.5
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modified kinetic energy functional, with parameters:
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ecutz = 12.0000 ecsig = 4.0000 ecfix = 12.00
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NOTA BENE: refg, mmx = 0.050000 1536
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Eigenvalues calculated without the kinetic term contribution
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Orthog. with lagrange multipliers : eps = 0.10E-08, max = 30
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verlet algorithm for electron dynamics
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with friction frice = 0.1000 , grease = 1.0000
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Electron dynamics : the temperature is not controlled
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Electronic states
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-----------------
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Number of Electrons= 32, of States = 16
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Occupation numbers :
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2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00
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2.00 2.00 2.00 2.00 2.00 2.00
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Exchange and correlations functionals
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-------------------------------------
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Exchange-correlation= SLA PZ NOGX NOGC
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( 1 1 0 0 0 0 0)
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Ions Simulation Parameters
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--------------------------
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Ions are not allowed to move
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Initial random displacement of ionic coordinates
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specie amplitude
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1 0.100000
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Ionic position (from input)
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sorted by specie, and converted to real a.u. coordinates
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Species 1 atoms = 8 mass = 51186.71 (a.u.), 28.08 (amu) rcmax = 0.80 (a.u.)
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0.000000 0.000000 0.000000
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0.000000 5.300000 5.300000
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5.300000 0.000000 5.300000
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5.300000 5.300000 0.000000
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2.650000 2.650000 2.650000
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2.650000 7.950000 7.950000
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7.950000 2.650000 7.950000
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7.950000 7.950000 2.650000
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Ionic position will be re-read from restart file
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Cell Dynamics Parameters (from STDIN)
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-------------------------------------
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internal stress tensor calculated
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Starting cell generated from CELLDM
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Cell parameters will be re-read from restart file
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Constant VOLUME Molecular dynamics
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cell parameters are not allowed to move
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Verbosity: iverbosity = 1
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Simulation dimensions initialization
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------------------------------------
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unit vectors of full simulation cell
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in real space: in reciprocal space (units 2pi/alat):
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1 10.6000 0.0000 0.0000 1.0000 0.0000 0.0000
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2 0.0000 10.6000 0.0000 0.0000 1.0000 0.0000
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3 0.0000 0.0000 10.6000 0.0000 0.0000 1.0000
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G-vector sticks info
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--------------------
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sticks: dense smooth PW G-vecs: dense smooth PW
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Sum 577 577 145 10395 10395 1309
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Real Mesh
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---------
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Global Dimensions Local Dimensions Processor Grid
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.X. .Y. .Z. .X. .Y. .Z. .X. .Y. .Z.
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27 27 27 27 27 27 1 1 1
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Array leading dimensions ( nr1x, nr2x, nr3x ) = 27 27 27
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Local number of cell to store the grid ( nrxx ) = 19683
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Number of x-y planes for each processors:
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| 27, 27 |
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Smooth Real Mesh
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----------------
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Global Dimensions Local Dimensions Processor Grid
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.X. .Y. .Z. .X. .Y. .Z. .X. .Y. .Z.
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27 27 27 27 27 27 1 1 1
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Array leading dimensions ( nr1x, nr2x, nr3x ) = 27 27 27
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Local number of cell to store the grid ( nrxx ) = 19683
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Number of x-y planes for each processors:
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| 27, 27 |
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Small Box Real Mesh
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-------------------
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Global Dimensions Local Dimensions Processor Grid
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.X. .Y. .Z. .X. .Y. .Z. .X. .Y. .Z.
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12 12 12 12 12 12 1 1 1
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Array leading dimensions ( nr1x, nr2x, nr3x ) = 12 12 12
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Local number of cell to store the grid ( nrxx ) = 1728
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unit vectors of box grid cell
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in real space: in reciprocal space:
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4.7111 0.0000 0.0000 1.0000 0.0000 0.0000
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0.0000 4.7111 0.0000 0.0000 1.0000 0.0000
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0.0000 0.0000 4.7111 0.0000 0.0000 1.0000
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Reciprocal Space Mesh
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---------------------
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Large Mesh
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Global(ngm_g) MinLocal MaxLocal Average
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5198 5198 5198 5198.00
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Smooth Mesh
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Global(ngms_g) MinLocal MaxLocal Average
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5198 5198 5198 5198.00
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Wave function Mesh
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Global(ngw_g) MinLocal MaxLocal Average
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655 655 655 655.00
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Small box Mesh
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ngb = 448 not distributed to processors
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System geometry initialization
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------------------------------
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cell parameters read from restart file
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ibrav = 14 cell parameters
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cell at current step : h(t)
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10.60000 0.00000 0.00000
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0.00000 10.60000 0.00000
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0.00000 0.00000 10.60000
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cell at previous step : h(t-dt)
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10.60000 0.00000 0.00000
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0.00000 10.60000 0.00000
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0.00000 0.00000 10.60000
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unit vectors of box grid cell
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in real space: in reciprocal space:
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4.7111 0.0000 0.0000 1.0000 0.0000 0.0000
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0.0000 4.7111 0.0000 0.0000 1.0000 0.0000
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0.0000 0.0000 4.7111 0.0000 0.0000 1.0000
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Matrix Multiplication Performances
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ortho mmul, time for parallel driver = 0.00000 with 1 procs
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Constraints matrixes will be distributed block like on
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ortho sub-group = 1* 1 procs
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Pseudopotentials initialization
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-------------------------------
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Common initialization
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Specie: 1
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1 indv= 1 ang. mom= 0
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2 indv= 2 ang. mom= 1
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3 indv= 2 ang. mom= 1
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4 indv= 2 ang. mom= 1
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dion
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0.7619 0.0000
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0.0000 1.8417
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Cell parameters from input file are used in electron mass preconditioning
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init_tpiba2= 0.35135651
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Short Legend and Physical Units in the Output
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---------------------------------------------
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NFI [int] - step index
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EKINC [HARTREE A.U.] - kinetic energy of the fictitious electronic dynamics
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TEMPH [K] - Temperature of the fictitious cell dynamics
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TEMP [K] - Ionic temperature
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ETOT [HARTREE A.U.] - Scf total energy (Kohn-Sham hamiltonian)
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ENTHAL [HARTREE A.U.] - Enthalpy ( ETOT + P * V )
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ECONS [HARTREE A.U.] - Enthalpy + kinetic energy of ions and cell
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ECONT [HARTREE A.U.] - Constant of motion for the CP lagrangian
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Randomization of SCALED ionic coordinates
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Old Positions New Positions
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0.000000 0.000000 0.000000 -0.000185 -0.004238 -0.003903
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0.000000 0.500000 0.500000 -0.004267 0.504596 0.501988
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0.500000 0.000000 0.500000 0.499161 -0.002517 0.499536
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0.500000 0.500000 0.000000 0.503121 0.500029 0.004222
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0.250000 0.250000 0.250000 0.247756 0.252197 0.252645
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0.250000 0.750000 0.750000 0.245935 0.750297 0.747829
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0.750000 0.250000 0.750000 0.748684 0.248164 0.754084
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0.750000 0.750000 0.250000 0.752162 0.750485 0.249564
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Electronic velocities set to zero
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formf: eself= 63.83076
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formf: vps(g=0)= -0.0088167 rhops(g=0)= -0.0033585
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formf: vps(g=0)= -0.0085339 rhops(g=0)= -0.0031749
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formf: vps(g=0)= -0.0085339 rhops(g=0)= -0.0031749
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formf: vps(g=0)= -0.0085339 rhops(g=0)= -0.0031749
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formf: vps(g=0)= -0.0082350 rhops(g=0)= -0.0030013
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formf: sum_g vps(g)= -1.8106621 sum_g rhops(g)= -0.7031023
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Delta V(G=0): 0.054021Ry, 1.469978eV
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WARNING setting to ZERO ions, electrons and cell velocities without
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setting to ZERO all velocities could generate meaningles trajectories
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nfi ekinc temph tempp etot enthal econs econt vnhh xnhh0 vnhp xnhp0
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159 0.001503618285139 0.0 0.00 -31.140929355751 -31.140929355751 -31.140929355751 -31.139425737466 0.0000 0.0000 0.0000 0.0000
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160 0.004924983220907 0.0 0.00 -31.146515527919 -31.146515527919 -31.146515527919 -31.141590544698 0.0000 0.0000 0.0000 0.0000
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161 0.006681820666003 0.0 0.00 -31.151116617685 -31.151116617685 -31.151116617685 -31.144434797019 0.0000 0.0000 0.0000 0.0000
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162 0.004921079218426 0.0 0.00 -31.151420851257 -31.151420851257 -31.151420851257 -31.146499772038 0.0000 0.0000 0.0000 0.0000
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163 0.002203638938877 0.0 0.00 -31.149660351973 -31.149660351973 -31.149660351973 -31.147456713034 0.0000 0.0000 0.0000 0.0000
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164 0.001130498089823 0.0 0.00 -31.149148049889 -31.149148049889 -31.149148049889 -31.148017551799 0.0000 0.0000 0.0000 0.0000
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165 0.001604869000998 0.0 0.00 -31.150380950094 -31.150380950094 -31.150380950094 -31.148776081093 0.0000 0.0000 0.0000 0.0000
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166 0.002047927981058 0.0 0.00 -31.151715803655 -31.151715803655 -31.151715803655 -31.149667875674 0.0000 0.0000 0.0000 0.0000
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167 0.001691677135468 0.0 0.00 -31.152062743652 -31.152062743652 -31.152062743652 -31.150371066517 0.0000 0.0000 0.0000 0.0000
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168 0.001027669324691 0.0 0.00 -31.151830549526 -31.151830549526 -31.151830549526 -31.150802880202 0.0000 0.0000 0.0000 0.0000
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169 0.000697122075354 0.0 0.00 -31.151819021403 -31.151819021403 -31.151819021403 -31.151121899328 0.0000 0.0000 0.0000 0.0000
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170 0.000708487968134 0.0 0.00 -31.152160854202 -31.152160854202 -31.152160854202 -31.151452366234 0.0000 0.0000 0.0000 0.0000
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171 0.000710580653518 0.0 0.00 -31.152478846225 -31.152478846225 -31.152478846225 -31.151768265572 0.0000 0.0000 0.0000 0.0000
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172 0.000554444904014 0.0 0.00 -31.152558215024 -31.152558215024 -31.152558215024 -31.152003770120 0.0000 0.0000 0.0000 0.0000
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173 0.000374667424398 0.0 0.00 -31.152537719692 -31.152537719692 -31.152537719692 -31.152163052268 0.0000 0.0000 0.0000 0.0000
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174 0.000301525924094 0.0 0.00 -31.152599070329 -31.152599070329 -31.152599070329 -31.152297544405 0.0000 0.0000 0.0000 0.0000
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175 0.000300596470024 0.0 0.00 -31.152733230799 -31.152733230799 -31.152733230799 -31.152432634329 0.0000 0.0000 0.0000 0.0000
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176 0.000278342788496 0.0 0.00 -31.152832181644 -31.152832181644 -31.152832181644 -31.152553838855 0.0000 0.0000 0.0000 0.0000
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177 0.000216762601395 0.0 0.00 -31.152862490367 -31.152862490367 -31.152862490367 -31.152645727765 0.0000 0.0000 0.0000 0.0000
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178 0.000162068420169 0.0 0.00 -31.152877333494 -31.152877333494 -31.152877333494 -31.152715265074 0.0000 0.0000 0.0000 0.0000
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179 0.000140144464023 0.0 0.00 -31.152917584903 -31.152917584903 -31.152917584903 -31.152777440439 0.0000 0.0000 0.0000 0.0000
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180 0.000131337518816 0.0 0.00 -31.152967250965 -31.152967250965 -31.152967250965 -31.152835913446 0.0000 0.0000 0.0000 0.0000
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181 0.000111906597731 0.0 0.00 -31.152996664077 -31.152996664077 -31.152996664077 -31.152884757479 0.0000 0.0000 0.0000 0.0000
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182 0.000084796631209 0.0 0.00 -31.153006080523 -31.153006080523 -31.153006080523 -31.152921283892 0.0000 0.0000 0.0000 0.0000
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183 0.000065559526673 0.0 0.00 -31.153015480820 -31.153015480820 -31.153015480820 -31.152949921293 0.0000 0.0000 0.0000 0.0000
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184 0.000057786943325 0.0 0.00 -31.153033423542 -31.153033423542 -31.153033423542 -31.152975636599 0.0000 0.0000 0.0000 0.0000
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185 0.000052461280937 0.0 0.00 -31.153051344681 -31.153051344681 -31.153051344681 -31.152998883400 0.0000 0.0000 0.0000 0.0000
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186 0.000043186819383 0.0 0.00 -31.153060918526 -31.153060918526 -31.153060918526 -31.153017731707 0.0000 0.0000 0.0000 0.0000
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187 0.000032685999093 0.0 0.00 -31.153064621407 -31.153064621407 -31.153064621407 -31.153031935408 0.0000 0.0000 0.0000 0.0000
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188 0.000025861520937 0.0 0.00 -31.153069178220 -31.153069178220 -31.153069178220 -31.153043316699 0.0000 0.0000 0.0000 0.0000
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189 0.000022870652310 0.0 0.00 -31.153076314182 -31.153076314182 -31.153076314182 -31.153053443530 0.0000 0.0000 0.0000 0.0000
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190 0.000020526102135 0.0 0.00 -31.153082956999 -31.153082956999 -31.153082956999 -31.153062430896 0.0000 0.0000 0.0000 0.0000
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191 0.000017113642930 0.0 0.00 -31.153086944938 -31.153086944938 -31.153086944938 -31.153069831295 0.0000 0.0000 0.0000 0.0000
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192 0.000013563442968 0.0 0.00 -31.153089276588 -31.153089276588 -31.153089276588 -31.153075713145 0.0000 0.0000 0.0000 0.0000
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193 0.000011086948898 0.0 0.00 -31.153091679260 -31.153091679260 -31.153091679260 -31.153080592311 0.0000 0.0000 0.0000 0.0000
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194 0.000009544827613 0.0 0.00 -31.153094360500 -31.153094360500 -31.153094360500 -31.153084815672 0.0000 0.0000 0.0000 0.0000
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195 0.000008156960659 0.0 0.00 -31.153096550936 -31.153096550936 -31.153096550936 -31.153088393975 0.0000 0.0000 0.0000 0.0000
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196 0.000006678394937 0.0 0.00 -31.153097977702 -31.153097977702 -31.153097977702 -31.153091299308 0.0000 0.0000 0.0000 0.0000
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197 0.000005408406422 0.0 0.00 -31.153099068217 -31.153099068217 -31.153099068217 -31.153093659811 0.0000 0.0000 0.0000 0.0000
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198 0.000004526277588 0.0 0.00 -31.153100179164 -31.153100179164 -31.153100179164 -31.153095652887 0.0000 0.0000 0.0000 0.0000
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199 0.000003867500910 0.0 0.00 -31.153101223556 -31.153101223556 -31.153101223556 -31.153097356055 0.0000 0.0000 0.0000 0.0000
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200 0.000003234967742 0.0 0.00 -31.153102008015 -31.153102008015 -31.153102008015 -31.153098773047 0.0000 0.0000 0.0000 0.0000
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writing restart file (with schema): ./si_50.save/
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restart : 0.00s CPU 0.00s WALL ( 1 calls)
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201 0.000002630422300 0.0 0.00 -31.153102553132 -31.153102553132 -31.153102553132 -31.153099922710 0.0000 0.0000 0.0000 0.0000
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202 0.000002147199048 0.0 0.00 -31.153103012836 -31.153103012836 -31.153103012836 -31.153100865637 0.0000 0.0000 0.0000 0.0000
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203 0.000001798127703 0.0 0.00 -31.153103456040 -31.153103456040 -31.153103456040 -31.153101657913 0.0000 0.0000 0.0000 0.0000
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204 0.000001519439376 0.0 0.00 -31.153103843705 -31.153103843705 -31.153103843705 -31.153102324266 0.0000 0.0000 0.0000 0.0000
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205 0.000001269153448 0.0 0.00 -31.153104146321 -31.153104146321 -31.153104146321 -31.153102877168 0.0000 0.0000 0.0000 0.0000
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206 0.000001054909192 0.0 0.00 -31.153104391098 -31.153104391098 -31.153104391098 -31.153103336189 0.0000 0.0000 0.0000 0.0000
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207 0.000000887485935 0.0 0.00 -31.153104611542 -31.153104611542 -31.153104611542 -31.153103724056 0.0000 0.0000 0.0000 0.0000
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* Physical Quantities at step: 208
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Pressure of Nuclei (GPa) 0.00000 208
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Pressure Total (GPa) -0.80342 208
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total energy = -31.15310480662 Hartree a.u.
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kinetic energy = 12.29369 Hartree a.u.
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electrostatic energy = -38.45947 Hartree a.u.
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esr = 0.00000 Hartree a.u.
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eself = 63.83076 Hartree a.u.
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pseudopotential energy = -3.03720 Hartree a.u.
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n-l pseudopotential energy = 7.53741 Hartree a.u.
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exchange-correlation energy = -9.48753 Hartree a.u.
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average potential = 0.00000 Hartree a.u.
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Eigenvalues (eV), kp = 1 , spin = 1
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-7.27 -3.52 -3.49 -3.46 -3.42 -3.36 -3.33 1.19 1.22 1.24
|
|
1.24 1.28 1.28 3.95 4.00 4.02
|
|
|
|
|
|
CELL_PARAMETERS
|
|
10.60000000 0.00000000 0.00000000
|
|
0.00000000 10.60000000 0.00000000
|
|
0.00000000 0.00000000 10.60000000
|
|
|
|
System Density [g/cm^3] : 2.1136057820
|
|
|
|
|
|
System Volume [A.U.^3] : 1191.0160000000
|
|
|
|
|
|
Center of mass square displacement (a.u.): 0.000166
|
|
|
|
Total stress (GPa)
|
|
-0.79482035 -0.09498846 -0.11375102
|
|
-0.09498846 -0.83382299 0.14672659
|
|
-0.11375071 0.14672720 -0.78162746
|
|
ATOMIC_POSITIONS
|
|
Si -0.19621861979623E-02 -0.44922866846399E-01 -0.41368089352614E-01
|
|
Si -0.45232659920871E-01 0.53487133503729E+01 0.53210679598053E+01
|
|
Si 0.52911092048598E+01 -0.26685130072476E-01 0.52950783936137E+01
|
|
Si 0.53330825251217E+01 0.53003074822310E+01 0.44751584328280E-01
|
|
Si 0.26262115472147E+01 0.26732905710584E+01 0.26780329820384E+01
|
|
Si 0.26069133433703E+01 0.79531447778439E+01 0.79269874304121E+01
|
|
Si 0.79360522390673E+01 0.26305352053500E+01 0.79932858093204E+01
|
|
Si 0.79729173348272E+01 0.79551441476139E+01 0.26453828647456E+01
|
|
|
|
ATOMIC_VELOCITIES
|
|
Si 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
|
|
Si 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
|
|
Si 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
|
|
Si 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
|
|
Si 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
|
|
Si 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
|
|
Si 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
|
|
Si 0.00000000000000E+00 0.00000000000000E+00 0.00000000000000E+00
|
|
|
|
Forces acting on atoms (au):
|
|
Si 0.20498994302790E-02 0.52550349433420E-02 0.42031887355951E-02
|
|
Si -0.14198428033267E-02 -0.48438645218915E-02 0.10940790139082E-02
|
|
Si -0.63121033413539E-03 0.30808026458399E-02 -0.52690804219417E-04
|
|
Si -0.50494860658515E-02 0.15995091843090E-02 -0.15243035138226E-02
|
|
Si -0.12517398339957E-02 -0.16884309012646E-02 -0.10080164376953E-02
|
|
Si 0.75784946224486E-02 -0.43797893483310E-02 0.13926651159623E-02
|
|
Si -0.58555025326413E-03 -0.64922827572567E-03 -0.33283783346481E-02
|
|
Si -0.73700578839318E-03 0.16212894445712E-02 -0.73196101477704E-03
|
|
|
|
|
|
|
|
Partial temperatures (for each ionic specie)
|
|
Species Temp (K) Mean Square Displacement (a.u.)
|
|
1 0.00E+00 2.3109E-03
|
|
208 0.000000753188229 0.0 0.00 -31.153104806624 -31.153104806624 -31.153104806624 -31.153104053436 0.0000 0.0000 0.0000 0.0000
|
|
|
|
writing restart file (with schema): ./si_50.save/
|
|
restart : 0.00s CPU 0.00s WALL ( 2 calls)
|
|
|
|
|
|
Averaged Physical Quantities
|
|
accumulated this run
|
|
ekinc : 0.36728 0.00066 (AU)
|
|
ekin : 12.70704 12.29565 (AU)
|
|
epot : -50.86687 -50.98559 (AU)
|
|
total energy : -30.56094 -31.15225 (AU)
|
|
temperature : 0.00000 0.00000 (K )
|
|
enthalpy : -30.56094 -31.15225 (AU)
|
|
econs : -30.56094 -31.15225 (AU)
|
|
pressure : 7.51638 -0.77635 (Gpa)
|
|
volume : 1191.01600 1191.01600 (AU)
|
|
|
|
|
|
|
|
Called by MAIN_LOOP:
|
|
initialize : 0.08s CPU 0.10s WALL ( 1 calls)
|
|
main_loop : 0.49s CPU 0.49s WALL ( 50 calls)
|
|
cpr_total : 0.50s CPU 0.50s WALL ( 1 calls)
|
|
|
|
Called by INIT_RUN:
|
|
init_readfil : 0.01s CPU 0.01s WALL ( 1 calls)
|
|
|
|
Called by CPR:
|
|
cpr_md : 0.50s CPU 0.50s WALL ( 50 calls)
|
|
move_electro : 0.38s CPU 0.38s WALL ( 50 calls)
|
|
|
|
Called by move_electrons:
|
|
rhoofr : 0.11s CPU 0.11s WALL ( 50 calls)
|
|
vofrho : 0.10s CPU 0.10s WALL ( 50 calls)
|
|
dforce : 0.15s CPU 0.15s WALL ( 400 calls)
|
|
calphi : 0.00s CPU 0.00s WALL ( 50 calls)
|
|
newd : 0.00s CPU 0.00s WALL ( 50 calls)
|
|
nlfl : 0.00s CPU 0.00s WALL ( 50 calls)
|
|
|
|
Called by ortho:
|
|
ortho_iter : 0.00s CPU 0.00s WALL ( 50 calls)
|
|
rsg : 0.00s CPU 0.00s WALL ( 50 calls)
|
|
rhoset : 0.00s CPU 0.00s WALL ( 50 calls)
|
|
sigset : 0.00s CPU 0.00s WALL ( 50 calls)
|
|
tauset : 0.00s CPU 0.00s WALL ( 50 calls)
|
|
ortho : 0.01s CPU 0.01s WALL ( 50 calls)
|
|
updatc : 0.00s CPU 0.00s WALL ( 50 calls)
|
|
|
|
Small boxes:
|
|
|
|
Low-level routines:
|
|
prefor : 0.00s CPU 0.00s WALL ( 51 calls)
|
|
nlfq : 0.02s CPU 0.02s WALL ( 50 calls)
|
|
nlsm1 : 0.01s CPU 0.01s WALL ( 51 calls)
|
|
nlsm2 : 0.02s CPU 0.02s WALL ( 50 calls)
|
|
fft : 0.02s CPU 0.02s WALL ( 152 calls)
|
|
ffts : 0.02s CPU 0.02s WALL ( 100 calls)
|
|
fftw : 0.18s CPU 0.18s WALL ( 1200 calls)
|
|
betagx : 0.04s CPU 0.04s WALL ( 1 calls)
|
|
qradx : 0.00s CPU 0.00s WALL ( 1 calls)
|
|
nlinit : 0.05s CPU 0.05s WALL ( 1 calls)
|
|
init_dim : 0.00s CPU 0.00s WALL ( 1 calls)
|
|
newnlinit : 0.00s CPU 0.00s WALL ( 1 calls)
|
|
from_restart : 0.00s CPU 0.00s WALL ( 1 calls)
|
|
strucf : 0.00s CPU 0.00s WALL ( 1 calls)
|
|
calbec : 0.01s CPU 0.01s WALL ( 51 calls)
|
|
|
|
|
|
CP : 0.60s CPU 0.63s WALL
|
|
|
|
|
|
This run was terminated on: 20:26:42 24Apr2020
|
|
|
|
=------------------------------------------------------------------------------=
|
|
JOB DONE.
|
|
=------------------------------------------------------------------------------=
|