Melting Temperature Fit
Download MPFit Figure
| Method / sample set | ΔH | ΔS estimate |
|---|---|---|
| uMLIP (PBE sample set) |
— eV/atom
— kJ/mol of atoms
|
—
eV/(atom K)
— J/(mol of atoms K)
|
| PBE |
— eV/atom
— kJ/mol of atoms
|
—
eV/(atom K)
— J/(mol of atoms K)
|
| uMLIP (R2SCAN sample set) |
— eV/atom
— kJ/mol of atoms
|
—
eV/(atom K)
— J/(mol of atoms K)
|
| R2SCAN |
— eV/atom
— kJ/mol of atoms
|
—
eV/(atom K)
— J/(mol of atoms K)
|
ΔH is the liquid-minus-solid value reported by the existing correction workflow. Each uMLIP row uses the sample set matched to that DFT method. Uncertainties are standard errors; — means unavailable.
ΔS is estimated as ΔHuMLIP/Tm,uMLIP. Its propagated uncertainty assumes these two quantities are independent. The current PBE/R2SCAN correction inherits this entropy estimate; it is not an independently calculated DFT entropy.
| Sample set | Cp,solid | Cp,liquid |
|---|---|---|
| uMLIP (PBE sample set) |
— J/(mol of atoms K)
— eV/(atom K)
|
— J/(mol of atoms K)
— eV/(atom K)
|
| uMLIP (R2SCAN sample set) |
— J/(mol of atoms K)
— eV/(atom K)
|
— J/(mol of atoms K)
— eV/(atom K)
|
Values reported in SLUSCHI.out by the correction workflow. These are uMLIP potential-energy–temperature slopes for the PBE/R2SCAN sample sets, not full thermodynamic heat capacities or independent DFT heat capacities. The workflow may substitute the other phase's slope when one is unavailable. Uncertainties are not reported; — means unavailable.
| Vsolid [ų/atom] | Vliquid [ų/atom] | ΔV [ų/atom] |
|---|---|---|
| 15.4785 ± 0.0934 | 15.7231 ± 0.33 | 0.24461 ± 0.277 |
=======================================================================================================
Solid and Liquid in Ultra Small Coexistence with Hovering Interfaces (SLUSCHI)
Developed and maintained by Qi-Jun Hong, with early research support from Axel van de Walle (2014-2020)
=======================================================================================================
Generating solid with radius = 11
*** Generate a supercell from the current unitcell ***
The supercell is:
0.0000000000000000 0.0000000000000000 -9.8785928599999995
7.7872229699999993 8.0927210100000000 0.0000000000000000
7.7872260299999994 -8.0927210100000000 0.0000000000000000
|a|,|b|,|c|,theta(bc),theta(ac),theta(ab):
9.879 11.231 11.231 92.204 90.000 90.000
In UNIT-cell, number of atoms: 2 1 total: 3
Inverse Matrix is:
0.0000000000000000 6.4207728954006671E-002 6.4207728954006671E-002
0.0000000000000000 6.1783928745348576E-002 -6.1783904467278154E-002
-0.10122899224333456 0.0000000000000000 0.0000000000000000
In SUPER-cell, number of atoms: 60 30 total: 90
POSCAR_STRCT atoms = 90
Accepted radius = 11 with 90 atoms
====================================================================================================
=== SLUSCHI fit-first-1-guard1; source: /u/hqj/sluschi-up/src ===
/projects/bhin/hqj/sluschi_auto/2f50abd0-3023-4876-974e-497ab9b3bf13/Ta2C/Dir_lammps
['Ta', 'C']
elements: ['Ta', 'C']
counts: [60, 30]
solid atom IDs: 1:90
liquid atom IDs: 91:180
Original Tm = 1000.0
New temp = 500
New temp_end = 2000
500, 2000, 1
Adaptive temp step = 500
500 K: 0/1 usable completed; 0 genuinely resolved; no replacement attempts
Starting NEW trajectory 500/1, step_param=1000
Pressure trial 1: scale=1.0
Pressure = -10911.61634
Pressure trial 2: scale=0.995
Pressure = 20043.87885
Pressure trial 3: scale=0.9974999999999999
Pressure = 4327.987719
Production: at most 8 blocks of 10000 steps, including the first
Completed! Phase: solid
500 K: 1/1 usable completed; 1 genuinely resolved; no replacement attempts
1000 K: 0/1 usable completed; 0 genuinely resolved; no replacement attempts
Starting NEW trajectory 1000/1, step_param=1000
Pressure trial 1: scale=0.9974999999999999
Pressure = 20947.6416
Pressure trial 2: scale=1.0074999999999998
Pressure = -42466.9344
Pressure trial 3: scale=1.0025
Pressure = -11692.83329
Pressure trial 4: scale=0.9974999999999999
Pressure = 20947.644
Pressure trial 5: scale=0.9999999999999999
Pressure = 4144.86799
Production: at most 8 blocks of 10000 steps, including the first
Completed! Phase: solid
1000 K: 1/1 usable completed; 1 genuinely resolved; no replacement attempts
1500 K: 0/1 usable completed; 0 genuinely resolved; no replacement attempts
Starting NEW trajectory 1500/1, step_param=1000
Pressure trial 1: scale=0.9999999999999999
Pressure = 29684.7632
Pressure trial 2: scale=1.0099999999999998
Pressure = -34889.9961
Pressure trial 3: scale=1.005
Pressure = -4741.60385
Production: at most 8 blocks of 10000 steps, including the first
Completed! Phase: solid
1500 K: 1/1 usable completed; 1 genuinely resolved; no replacement attempts
2000 K: 0/1 usable completed; 0 genuinely resolved; no replacement attempts
Starting NEW trajectory 2000/1, step_param=1000
Pressure trial 1: scale=1.005
Pressure = 39340.0796
Pressure trial 2: scale=1.015
Pressure = -23209.21735
Pressure trial 3: scale=1.01
Pressure = 500.155482
Production: at most 8 blocks of 10000 steps, including the first
Completed! Phase: solid
2000 K: 1/1 usable completed; 1 genuinely resolved; no replacement attempts
500, 500, 1
Adaptive temp step = 100
500 K: 1/1 usable completed; 1 genuinely resolved; no replacement attempts
1000, 1000, 1
Adaptive temp step = 100
1000 K: 1/1 usable completed; 1 genuinely resolved; no replacement attempts
1500, 1500, 1
Adaptive temp step = 100
1500 K: 1/1 usable completed; 1 genuinely resolved; no replacement attempts
2000, 2000, 1
Adaptive temp step = 100
2000 K: 1/1 usable completed; 1 genuinely resolved; no replacement attempts
Wrote summary.csv and summary.out for 4 trajectories
Wrote phase_pred.csv: {'solid': 4}
Wrote jobs_results.out (weighted counts); 0 unresolved trajectories
=== running MPFit ===
Melting temperature and std error: 2044.9288524999999 6624.8273486036906
500 1 0 1
1000 1 0 1
1500 1 0 1
2000 1 0 1
=== Find next job to run ===
next job: 1 MD duplicate(s) at 2800.0 K
2800, 2800, 1
Adaptive temp step = 100
2800 K: 0/1 usable completed; 0 genuinely resolved; no replacement attempts
Starting NEW trajectory 2800/1, step_param=1000
Pressure trial 1: scale=1.01
Pressure = 71126.615
Pressure trial 2: scale=1.02
Pressure = 28574.37134
Pressure trial 3: scale=1.03
Pressure = -29832.4586
Pressure trial 4: scale=1.0250000000000001
Pressure = -9394.92018
Pressure trial 5: scale=1.0200000000000002
Pressure = 18451.495255
Production: at most 8 blocks of 10000 steps, including the first
Completed! Phase: solid
2800 K: 1/1 usable completed; 1 genuinely resolved; no replacement attempts
Wrote summary.csv and summary.out for 5 trajectories
Wrote phase_pred.csv: {'solid': 5}
Wrote jobs_results.out (weighted counts); 0 unresolved trajectories
=== running MPFit ===
Melting temperature and std error: 2859.9890240000004 9728.9997801462650
500 1 0 1
1000 1 0 1
1500 1 0 1
2000 1 0 1
2800 1 0 1
=== Find next job to run ===
next job: 1 MD duplicate(s) at 3600.0 K
3600, 3600, 1
Adaptive temp step = 100
3600 K: 0/1 usable completed; 0 genuinely resolved; no replacement attempts
Starting NEW trajectory 3600/1, step_param=1000
Pressure trial 1: scale=1.0200000000000002
Pressure = 65183.8341
Pressure trial 2: scale=1.0300000000000002
Pressure = 1863.15922
Production: at most 8 blocks of 10000 steps, including the first
Completed! Phase: solid
3600 K: 1/1 usable completed; 1 genuinely resolved; no replacement attempts
Wrote summary.csv and summary.out for 6 trajectories
Wrote phase_pred.csv: {'solid': 6}
Wrote jobs_results.out (weighted counts); 0 unresolved trajectories
=== running MPFit ===
Melting temperature and std error: 3687.3237335999997 12753.706946422370
500 1 0 1
1000 1 0 1
1500 1 0 1
2000 1 0 1
2800 1 0 1
3600 1 0 1
=== Find next job to run ===
next job: 1 MD duplicate(s) at 4400.0 K
4400, 4400, 1
Adaptive temp step = 100
4400 K: 0/1 usable completed; 0 genuinely resolved; no replacement attempts
Starting NEW trajectory 4400/1, step_param=1000
Pressure trial 1: scale=1.0300000000000002
Pressure = 54940.347761
Pressure trial 2: scale=1.0400000000000003
Pressure = 3664.525569
Production: at most 8 blocks of 10000 steps, including the first
Completed! Phase: liquid
4400 K: 1/1 usable completed; 1 genuinely resolved; no replacement attempts
Initial scan stopped at 4400 K: confirmed liquid. Fitting before further MD.
Wrote summary.csv and summary.out for 7 trajectories
Wrote phase_pred.csv: {'solid': 6, 'liquid': 1}
Wrote jobs_results.out (weighted counts); 0 unresolved trajectories
FIT NOW: reporting the partial batch before further MD.
=== running MPFit ===
Melting temperature and std error: 3690.3093469999999 17752.272281631431
500 1 0 1
1000 1 0 1
1500 1 0 1
2000 1 0 1
2800 1 0 1
3600 1 0 1
4400 0 1 1
=== Find next job to run ===
next job: 1 MD duplicate(s) at 4000.0000000000000 K
4000, 4000, 1
Adaptive temp step = 100
4000 K: 0/1 usable completed; 0 genuinely resolved; no replacement attempts
Starting NEW trajectory 4000/1, step_param=1000
Pressure trial 1: scale=1.0400000000000003
Pressure = -7418.60281
Pressure trial 2: scale=1.0350000000000004
Pressure = 2467.52253
Production: at most 8 blocks of 10000 steps, including the first
Completed! Phase: solid
4000 K: 1/1 usable completed; 1 genuinely resolved; no replacement attempts
Wrote summary.csv and summary.out for 8 trajectories
Wrote phase_pred.csv: {'solid': 7, 'liquid': 1}
Wrote jobs_results.out (weighted counts); 0 unresolved trajectories
=== running MPFit ===
Melting temperature and std error: 4146.5076458124995 16694.158311800318
500 1 0 1
1000 1 0 1
1500 1 0 1
2000 1 0 1
2800 1 0 1
3600 1 0 1
4000 1 0 1
4400 0 1 1
=== Find next job to run ===
next job: 4 MD duplicate(s) at 4000.0000000000000 K
next job: 4 MD duplicate(s) at 4400.0000000000000 K
4000, 4000, 4
Adaptive temp step = 100
4000 K: 1/4 usable completed; 1 genuinely resolved; no replacement attempts
Starting NEW trajectory 4000/2, step_param=1100
Pressure trial 1: scale=1.0350000000000004
Pressure = -815.52353
Production: at most 8 blocks of 10000 steps, including the first
Completed! Phase: solid
4000 K: 2/4 usable completed; 2 genuinely resolved; no replacement attempts
Starting NEW trajectory 4000/3, step_param=1200
Pressure trial 1: scale=1.0350000000000004
Pressure = -2312.81008
Production: at most 8 blocks of 10000 steps, including the first
Completed! Phase: liquid
4000 K: 3/4 usable completed; 3 genuinely resolved; no replacement attempts
Starting NEW trajectory 4000/4, step_param=1300
Pressure trial 1: scale=1.0350000000000004
Pressure = 16539.51883
Pressure trial 2: scale=1.0450000000000004
Pressure = -21671.62734
Pressure trial 3: scale=1.0400000000000005
Pressure = -9449.7026
Pressure trial 4: scale=1.0350000000000006
Pressure = 10709.71477
Pressure trial 5: scale=1.0375000000000005
Pressure = -1523.847099
Production: at most 8 blocks of 10000 steps, including the first
Completed! Phase: liquid
4000 K: 4/4 usable completed; 4 genuinely resolved; no replacement attempts
4400, 4400, 4
Adaptive temp step = 100
4400 K: 1/4 usable completed; 1 genuinely resolved; no replacement attempts
Starting NEW trajectory 4400/2, step_param=1100
Pressure trial 1: scale=1.0400000000000003
Pressure = 8248.20062
Pressure trial 2: scale=1.0500000000000003
Pressure = -22778.88275
Pressure trial 3: scale=1.0450000000000004
Pressure = -11548.530123
Pressure trial 4: scale=1.0400000000000005
Pressure = 15412.56661
Pressure trial 5: scale=1.0425000000000004
Pressure = -5821.939241
Production: at most 8 blocks of 10000 steps, including the first
Completed! Phase: liquid
4400 K: 2/4 usable completed; 2 genuinely resolved; no replacement attempts
Starting NEW trajectory 4400/3, step_param=1200
Pressure trial 1: scale=1.0425000000000004
Pressure = -832.49891
Production: at most 8 blocks of 10000 steps, including the first
Completed! Phase: liquid
4400 K: 3/4 usable completed; 3 genuinely resolved; no replacement attempts
Starting NEW trajectory 4400/4, step_param=1300
Pressure trial 1: scale=1.0425000000000004
Pressure = -2913.736912
Production: at most 8 blocks of 10000 steps, including the first
Completed! Phase: liquid
4400 K: 4/4 usable completed; 4 genuinely resolved; no replacement attempts
Wrote summary.csv and summary.out for 14 trajectories
Wrote phase_pred.csv: {'solid': 8, 'liquid': 6}
Wrote jobs_results.out (weighted counts); 0 unresolved trajectories
=== running MPFit ===
Melting temperature and std error: 3992.9116500000000 2762.1756452659420
500 1 0 1
1000 1 0 1
1500 1 0 1
2000 1 0 1
2800 1 0 1
3600 1 0 1
4000 2 2 4
4400 0 4 4
=== Find next job to run ===
next job: 4 MD duplicate(s) at 3600.0000000000000 K
next job: 4 MD duplicate(s) at 3600.0000000000000 K
3600, 3600, 4
Adaptive temp step = 100
3600 K: 1/4 usable completed; 1 genuinely resolved; no replacement attempts
Starting NEW trajectory 3600/2, step_param=1100
Pressure trial 1: scale=1.0300000000000002
Pressure = 15311.38642
Pressure trial 2: scale=1.0400000000000003
Pressure = -15323.973648
Pressure trial 3: scale=1.0350000000000004
Pressure = -10277.011862
Pressure trial 4: scale=1.0300000000000005
Pressure = 9135.43435
Pressure trial 5: scale=1.0325000000000004
Pressure = 3226.660781
Production: at most 8 blocks of 10000 steps, including the first
Completed! Phase: solid
3600 K: 2/4 usable completed; 2 genuinely resolved; no replacement attempts
Starting NEW trajectory 3600/3, step_param=1200
Pressure trial 1: scale=1.0325000000000004
Pressure = 5347.00698
Pressure trial 2: scale=1.0425000000000004
Pressure = -33657.09218
Pressure trial 3: scale=1.0375000000000005
Pressure = -21916.28432
Pressure trial 4: scale=1.0325000000000006
Pressure = -524.757492
Production: at most 8 blocks of 10000 steps, including the first
Completed! Phase: solid
3600 K: 3/4 usable completed; 3 genuinely resolved; no replacement attempts
Starting NEW trajectory 3600/4, step_param=1300
Pressure trial 1: scale=1.0325000000000006
Pressure = -3002.143308
Production: at most 8 blocks of 10000 steps, including the first
Completed! Phase: solid
3600 K: 4/4 usable completed; 4 genuinely resolved; no replacement attempts
3600, 3600, 4
Adaptive temp step = 100
3600 K: 4/4 usable completed; 4 genuinely resolved; no replacement attempts
Wrote summary.csv and summary.out for 17 trajectories
Wrote phase_pred.csv: {'solid': 11, 'liquid': 6}
Wrote jobs_results.out (weighted counts); 0 unresolved trajectories
=== running MPFit ===
Melting temperature and std error: 4007.3165142908333 145.40213736281021
500 1 0 1
1000 1 0 1
1500 1 0 1
2000 1 0 1
2800 1 0 1
3600 4 0 4
4000 2 2 4
4400 0 4 4
current fit
1 4007.3165142908333 145.40213736281021
possibilities:
current fit
0 4007.3165142908333 145.40213736281021
possibilities:
MP accuracy achieved. Stopping code...
summary.out
======================================================================================================================================================
folder poteng [eV/atom] kineng [eV/atom] temp [K] volume [Ang^3/atom] press [bar] energy_slope energy_dir diffusion [cm^2/s] spg phase left_phase right_phase left_D [cm^2/s] right_D [cm^2/s] phase_reason last_md_step phase_check
1000/1 -11.443404 0.128599 1000.441816 14.244946 -1258.481383 0.00000051 up 1.35197116e-09 P1 (1) solid solid solid 4.00405728e-09 0.00000000e+00 Both original halves agree 11100 RESOLVED
1500/1 -11.355498 0.198790 1546.501375 14.411467 -6420.099164 -0.00000104 down 0.00000000e+00 P1 (1) solid solid solid 0.00000000e+00 0.00000000e+00 Both original halves agree 11100 RESOLVED
2000/1 -11.239724 0.253277 1970.382385 14.510472 6656.655311 -0.00000158 down 0.00000000e+00 P1 (1) solid solid solid 0.00000000e+00 0.00000000e+00 Both original halves agree 11100 RESOLVED
2800/1 -11.083836 0.363594 2828.597495 14.673085 21983.493635 -0.00001124 down 4.15618791e-08 P1 (1) solid solid solid 1.46753363e-07 0.00000000e+00 Both original halves agree 11100 RESOLVED
3600/1 -10.896757 0.466502 3629.179545 15.208842 -427.575572 -0.00003067 down 0.00000000e+00 P1 (1) solid solid solid 0.00000000e+00 0.00000000e+00 Both original halves agree 11100 RESOLVED
3600/2 -10.903391 0.458467 3566.671015 15.190375 1229.980385 -0.00003870 down 0.00000000e+00 P1 (1) solid solid solid 1.97787829e-08 0.00000000e+00 Both original halves agree 11200 RESOLVED
3600/3 -10.878342 0.469413 3651.828380 15.319206 -13011.812930 -0.00003664 down 0.00000000e+00 P1 (1) solid solid solid 0.00000000e+00 1.85682130e-07 Both original halves agree 11300 RESOLVED
3600/4 -10.790232 0.465280 3619.672040 15.437928 -8543.305940 -0.00002970 down 0.00000000e+00 P1 (1) solid solid solid 0.00000000e+00 5.80410976e-08 Both original halves agree 11400 RESOLVED
4000/1 -10.717959 0.513572 3995.365230 15.752766 -25600.746825 -0.00003723 down 1.42827064e-10 P1 (1) solid solid solid 0.00000000e+00 5.02151850e-07 Both original halves agree 11100 RESOLVED
4000/2 -10.789699 0.514047 3999.059290 15.485206 -11797.794945 -0.00001553 down 0.00000000e+00 P1 (1) solid solid solid 0.00000000e+00 0.00000000e+00 Both original halves agree 21200 RESOLVED
4000/3 -10.576314 0.518389 4032.838380 15.689148 6543.181788 0.00000779 up 2.03792829e-05 P1 (1) liquid liquid liquid 1.70896054e-05 2.36689603e-05 Both original halves agree 11300 RESOLVED
4000/4 -10.565216 0.508431 3955.366660 15.723895 7991.746465 0.00000427 up 1.43392680e-05 P1 (1) liquid liquid liquid 1.12924919e-05 1.73860442e-05 Both original halves agree 11400 RESOLVED
4400/1 -10.209355 0.560588 4361.123525 16.600637 -4494.735126 0.00001091 up 7.54273486e-05 P1 (1) liquid liquid liquid 9.55388122e-05 5.53158851e-05 Both original halves agree 11100 RESOLVED
4400/2 -10.195010 0.563829 4386.343335 16.664225 -7841.184825 0.00000934 up 8.03193258e-05 P1 (1) liquid liquid liquid 9.32246421e-05 6.74140094e-05 Both original halves agree 11200 RESOLVED
4400/3 -10.182682 0.563439 4383.306110 16.567911 1567.908983 0.00002068 up 1.04435774e-04 P1 (1) liquid liquid liquid 8.97678929e-05 1.19103656e-04 Both original halves agree 11300 RESOLVED
4400/4 -10.185135 0.560848 4363.149830 16.610575 4161.158998 0.00000940 up 9.40730209e-05 P1 (1) liquid liquid liquid 9.53108568e-05 5.94449655e-05 Both original halves agree 11400 RESOLVED
500/1 -11.508583 0.063752 495.963923 14.111190 2084.644110 0.00000006 up 0.00000000e+00 P-3m1 (164) solid solid solid 0.00000000e+00 0.00000000e+00 Both original halves agree 11100 RESOLVED
======================================================================================================================================================
Wrote summary.csv and summary.out for 17 trajectories
Wrote phase_pred.csv: {'solid': 11, 'liquid': 6}
Wrote jobs_results.out (weighted counts); 0 unresolved trajectories
Wrote /projects/bhin/hqj/sluschi_auto/2f50abd0-3023-4876-974e-497ab9b3bf13/Ta2C/Dir_lammps/cost_table.out
Collected 66 log files
====================================
Computational cost summary:
Number of trajectories (temp/id) = 17
Total log files (incl. subruns) = 66
Total wall time = 2:54:10
Total seconds = 10450
Total GPU hours = 2.90
====================================
=== DFT corrections begin ===
=== PBE correction ===
PBE_METHOD = Unknown
N rows with PBE energy = 0
MT_LMP = 4007.3165142908333
STD_LMP = 145.4021373628102
SOLID (PBE present only):
lammps_poteng_eV_per_atom = N/A
PBE_energy_eV_per_atom = N/A
N_solid_PBE = 0
SEM_lammps_solid_PBE = N/A
SEM_PBE_solid = N/A
LIQUID (PBE present only):
lammps_poteng_eV_per_atom = N/A
PBE_energy_eV_per_atom = N/A
N_liquid_PBE = 0
SEM_lammps_liquid_PBE = N/A
SEM_PBE_liquid = N/A
DH_LMP_raw_PBE = N/A
DH_LMP_PBE = N/A
DH_PBE = N/A
STD_DH_LMP_PBE = N/A
STD_DH_PBE = N/A
COV_DH_PBE_LMP = N/A
MT_PBE = N/A
STD_PBE = N/A
=== R2SCAN correction ===
N rows with R2SCAN energy = 0
MT_LMP = 4007.3165142908333
STD_LMP = 145.4021373628102
SOLID (R2SCAN present only):
lammps_poteng_eV_per_atom = N/A
R2SCAN_energy_eV_per_atom = N/A
N_solid_R2SCAN = 0
SEM_lammps_solid_R2SCAN = N/A
SEM_R2SCAN_solid = N/A
LIQUID (R2SCAN present only):
lammps_poteng_eV_per_atom = N/A
R2SCAN_energy_eV_per_atom = N/A
N_liquid_R2SCAN = 0
SEM_lammps_liquid_R2SCAN = N/A
SEM_R2SCAN_liquid = N/A
DH_LMP_raw_R2SCAN = N/A
DH_LMP_R2SCAN = N/A
DH_R2SCAN = N/A
STD_DH_LMP_R2SCAN = N/A
STD_DH_R2SCAN = N/A
COV_DH_R2SCAN_LMP = N/A
MT_R2SCAN = N/A
STD_R2SCAN = N/A
=== DFT corrections end ===
Ta2 C1 1.0 3.1148897999999998 -0.0000000000000000 0.0000000000000000 -1.5574454099999999 2.6975736700000001 -0.0000000000000000 0.0000000000000000 -0.0000000000000000 4.9392964299999997 Ta C 2 1 direct 0.3333330000000000 0.6666670000000000 0.2538990300000000 Ta 0.6666670000000000 0.3333330000000000 0.7461009700000000 Ta 0.0000000000000000 -0.0000000000000000 -0.0000000000000000 C
No output files have been received yet.