mirror of https://gitlab.com/QEF/q-e.git
Proper writing of adaptative with multiple core
Adding of polar flag to epw test.
This commit is contained in:
parent
ec8dd93fc9
commit
27828f85f8
|
@ -75,7 +75,7 @@
|
|||
USE division, ONLY : fkbounds
|
||||
USE mp, ONLY : mp_barrier, mp_bcast, mp_sum
|
||||
USE io_global, ONLY : ionode_id
|
||||
USE mp_global, ONLY : inter_pool_comm, npool
|
||||
USE mp_global, ONLY : inter_pool_comm, npool, my_pool_id
|
||||
USE mp_world, ONLY : mpime, world_comm
|
||||
USE low_lvl, ONLY : system_mem_usage, fermiwindow, fermicarrier, &
|
||||
sumkg_seq, efermig_seq, mem_size, broadening
|
||||
|
@ -242,14 +242,12 @@
|
|||
!! Second Fermi level for the temperature itemp
|
||||
REAL(KIND = DP) :: dummy(3)
|
||||
!! Dummy variable
|
||||
REAL(KIND = DP) :: val
|
||||
!! Temporary broadening value
|
||||
!REAL(KIND = DP), EXTERNAL :: fermicarrier
|
||||
!! Function that returns the Fermi level so that n=p (if int_mob = .TRUE.)
|
||||
REAL(KIND = DP) :: valmin(npool)
|
||||
!! Temporary broadening min value
|
||||
REAL(KIND = DP) :: valmax(npool)
|
||||
!! Temporary broadening max value
|
||||
REAL(KIND = DP), EXTERNAL :: efermig
|
||||
!! External function to calculate the fermi energy
|
||||
!REAL(KIND = DP), EXTERNAL :: efermig_seq
|
||||
!! Same but in sequential
|
||||
REAL(KIND = DP), ALLOCATABLE :: etf_all(:, :)
|
||||
!! Eigen-energies on the fine grid collected from all pools in parallel case
|
||||
REAL(KIND = DP), ALLOCATABLE :: w2(:)
|
||||
|
@ -1330,16 +1328,25 @@
|
|||
!
|
||||
IF (MOD(iqq, restart_freq) == 0 .AND. adapt_smearing) THEN
|
||||
! Min non-zero value
|
||||
val = 10000d0
|
||||
valmin(:) = zero
|
||||
valmin(my_pool_id + 1) = 100d0
|
||||
valmax(:) = zero
|
||||
DO ik = 1, nkf
|
||||
DO ibnd = 1, nbndfst
|
||||
DO imode = 1, nmodes
|
||||
IF (eta(imode, ibnd, ik) < val .AND. ABS(eta(imode, ibnd, ik)) > eps16 ) val = eta(imode, ibnd, ik)
|
||||
IF (eta(imode, ibnd, ik) < valmin(my_pool_id + 1) .AND. ABS(eta(imode, ibnd, ik)) > eps16) THEN
|
||||
valmin(my_pool_id + 1) = eta(imode, ibnd, ik)
|
||||
ENDIF
|
||||
IF (eta(imode, ibnd, ik) > valmax(my_pool_id + 1)) THEN
|
||||
valmax(my_pool_id + 1) = eta(imode, ibnd, ik)
|
||||
ENDIF
|
||||
ENDDO
|
||||
ENDDO
|
||||
ENDDO
|
||||
WRITE(stdout, '(7x,a,f12.6,a)' ) 'Adaptative smearing = Min: ', SQRT(2.0d0) * val * ryd2mev,' meV'
|
||||
WRITE(stdout, '(7x,a,f12.6,a)' ) ' Max: ', SQRT(2.0d0) * MAXVAL(eta) * ryd2mev,' meV'
|
||||
CALL mp_sum(valmin, inter_pool_comm)
|
||||
CALL mp_sum(valmax, inter_pool_comm)
|
||||
WRITE(stdout, '(7x,a,f12.6,a)' ) 'Adaptative smearing = Min: ', SQRT(2.0d0) * MINVAL(valmin) * ryd2mev,' meV'
|
||||
WRITE(stdout, '(7x,a,f12.6,a)' ) ' Max: ', SQRT(2.0d0) * MAXVAL(valmax) * ryd2mev,' meV'
|
||||
ENDIF
|
||||
!
|
||||
IF (prtgkk ) CALL print_gkk(iq)
|
||||
|
|
|
@ -27,7 +27,7 @@
|
|||
Comput. Phys. Commun. 209, 116 (2016)
|
||||
|
||||
|
||||
Program EPW v.5.2.0 starts on 26Sep2019 at 16: 7: 9
|
||||
Program EPW v.5.2.0 starts on 26Sep2019 at 18:15:30
|
||||
|
||||
This program is part of the open-source Quantum ESPRESSO suite
|
||||
for quantum simulation of materials; please cite
|
||||
|
@ -134,9 +134,9 @@
|
|||
l(2) = 0
|
||||
l(3) = 1
|
||||
l(4) = 1
|
||||
EPW : 0.36s CPU 0.36s WALL
|
||||
EPW : 0.37s CPU 0.37s WALL
|
||||
|
||||
EPW : 1.05s CPU 1.06s WALL
|
||||
EPW : 1.08s CPU 1.08s WALL
|
||||
|
||||
No wavefunction gauge setting applied
|
||||
-------------------------------------------------------------------
|
||||
|
@ -220,13 +220,13 @@
|
|||
( 0.00000 0.56614 1.43246) : 0.71640
|
||||
|
||||
-------------------------------------------------------------------
|
||||
WANNIER : 5.76s CPU 5.77s WALL ( 1 calls)
|
||||
WANNIER : 5.52s CPU 5.57s WALL ( 1 calls)
|
||||
-------------------------------------------------------------------
|
||||
|
||||
Calculating kgmap
|
||||
|
||||
Progress kgmap: ########################################
|
||||
kmaps : 1.37s CPU 1.37s WALL ( 1 calls)
|
||||
kmaps : 1.52s CPU 1.53s WALL ( 1 calls)
|
||||
Symmetries of Bravais lattice: 24
|
||||
Symmetries of crystal: 12
|
||||
|
||||
|
@ -303,6 +303,9 @@
|
|||
|
||||
|
||||
Band disentanglement is used: nbndsub = 14
|
||||
|
||||
Computes the analytic long-range interaction for polar materials [lpolar]
|
||||
|
||||
Construct the Wigner-Seitz cell using Wannier centers and atomic positions
|
||||
Number of WS vectors for electrons 35
|
||||
Number of WS vectors for phonons 25
|
||||
|
@ -355,34 +358,34 @@
|
|||
|
||||
|
||||
Unfolding on the coarse grid
|
||||
elphon_wrap : 40.03s CPU 40.33s WALL ( 1 calls)
|
||||
elphon_wrap : 42.15s CPU 42.80s WALL ( 1 calls)
|
||||
|
||||
INITIALIZATION:
|
||||
|
||||
set_drhoc : 3.11s CPU 3.11s WALL ( 9 calls)
|
||||
set_drhoc : 3.18s CPU 3.18s WALL ( 9 calls)
|
||||
init_vloc : 0.02s CPU 0.02s WALL ( 1 calls)
|
||||
init_us_1 : 0.05s CPU 0.05s WALL ( 2 calls)
|
||||
|
||||
|
||||
|
||||
Electron-Phonon interpolation
|
||||
ephwann : 25.97s CPU 26.94s WALL ( 1 calls)
|
||||
ep-interp : 21.95s CPU 22.87s WALL ( 178 calls)
|
||||
ephwann : 39.71s CPU 40.76s WALL ( 1 calls)
|
||||
ep-interp : 35.69s CPU 36.66s WALL ( 178 calls)
|
||||
|
||||
Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls)
|
||||
Ham: step 2 : 0.01s CPU 0.01s WALL ( 1 calls)
|
||||
ep: step 1 : 0.00s CPU 0.01s WALL ( 96 calls)
|
||||
ep: step 1 : 0.01s CPU 0.01s WALL ( 96 calls)
|
||||
ep: step 2 : 0.02s CPU 0.02s WALL ( 96 calls)
|
||||
DynW2B : 0.01s CPU 0.01s WALL ( 178 calls)
|
||||
HamW2B : 4.00s CPU 4.04s WALL ( 64080 calls)
|
||||
ephW2Bp : 3.30s CPU 4.04s WALL ( 178 calls)
|
||||
ephW2B : 4.91s CPU 4.96s WALL ( 31684 calls)
|
||||
vmewan2bloch : 6.16s CPU 6.23s WALL ( 63368 calls)
|
||||
vmewan2bloch : 6.16s CPU 6.23s WALL ( 63368 calls)
|
||||
DynW2B : 0.02s CPU 0.02s WALL ( 178 calls)
|
||||
HamW2B : 3.99s CPU 4.01s WALL ( 64080 calls)
|
||||
ephW2Bp : 3.27s CPU 4.07s WALL ( 178 calls)
|
||||
ephW2B : 4.89s CPU 4.92s WALL ( 31684 calls)
|
||||
vmewan2bloch : 6.20s CPU 6.24s WALL ( 63368 calls)
|
||||
vmewan2bloch : 6.20s CPU 6.24s WALL ( 63368 calls)
|
||||
|
||||
|
||||
Total program execution
|
||||
EPW : 1m12.81s CPU 1m14.10s WALL
|
||||
EPW : 1m28.46s CPU 1m30.22s WALL
|
||||
|
||||
|
||||
Please consider citing:
|
||||
|
|
|
@ -27,7 +27,7 @@
|
|||
Comput. Phys. Commun. 209, 116 (2016)
|
||||
|
||||
|
||||
Program EPW v.5.2.0 starts on 25Sep2019 at 14:21:58
|
||||
Program EPW v.5.2.0 starts on 26Sep2019 at 18:17:36
|
||||
|
||||
This program is part of the open-source Quantum ESPRESSO suite
|
||||
for quantum simulation of materials; please cite
|
||||
|
@ -37,10 +37,9 @@
|
|||
in publications or presentations arising from this work. More details at
|
||||
http://www.quantum-espresso.org/quote
|
||||
|
||||
Parallel version (MPI), running on 2 processors
|
||||
Parallel version (MPI), running on 1 processors
|
||||
|
||||
MPI processes distributed on 1 nodes
|
||||
K-points division: npool = 2
|
||||
|
||||
------------------------------------------------------------------------
|
||||
RESTART - RESTART - RESTART - RESTART
|
||||
|
@ -108,6 +107,9 @@
|
|||
|
||||
|
||||
Band disentanglement is used: nbndsub = 14
|
||||
|
||||
Computes the analytic long-range interaction for polar materials [lpolar]
|
||||
|
||||
Construct the Wigner-Seitz cell using Wannier centers and atomic positions
|
||||
Number of WS vectors for electrons 35
|
||||
Number of WS vectors for phonons 25
|
||||
|
@ -120,15 +122,15 @@
|
|||
Finished reading Wann rep data from file
|
||||
|
||||
===================================================================
|
||||
Memory usage: VmHWM = 14Mb
|
||||
VmPeak = 397Mb
|
||||
Memory usage: VmHWM = 13Mb
|
||||
VmPeak = 272Mb
|
||||
===================================================================
|
||||
|
||||
Using uniform q-mesh: 12 12 12
|
||||
Size of q point mesh for interpolation: 1728
|
||||
Using uniform MP k-mesh: 12 12 12
|
||||
Size of k point mesh for interpolation: 266
|
||||
Max number of k points per pool: 134
|
||||
Max number of k points per pool: 266
|
||||
|
||||
Fermi energy coarse grid = 0.000000 eV
|
||||
|
||||
|
@ -146,7 +148,7 @@
|
|||
ibndmax = 6 ebndmax = 0.837
|
||||
|
||||
|
||||
Number of ep-matrix elements per pool : 7236 ~= 56.53 Kb (@ 8 bytes/ DP)
|
||||
Number of ep-matrix elements per pool : 14364 ~= 112.22 Kb (@ 8 bytes/ DP)
|
||||
|
||||
A selecq.fmt file was found but re-created because selecqread == .FALSE.
|
||||
Number selected, total 50 148
|
||||
|
@ -177,25 +179,25 @@
|
|||
Save matrix elements larger than threshold: 0.372108862978E-23
|
||||
|
||||
Progression iq (fine) = 50/ 162
|
||||
Adaptative smearing = Min: 0.109024 meV
|
||||
Max: 129.423060 meV
|
||||
Adaptative smearing = Min: 0.127775 meV
|
||||
Max: 293.598269 meV
|
||||
Progression iq (fine) = 100/ 162
|
||||
Adaptative smearing = Min: 28.955415 meV
|
||||
Max: 319.309341 meV
|
||||
Adaptative smearing = Min: 28.938127 meV
|
||||
Max: 319.311802 meV
|
||||
Progression iq (fine) = 150/ 162
|
||||
Adaptative smearing = Min: 50.727379 meV
|
||||
Max: 148.722873 meV
|
||||
Adaptative smearing = Min: 48.994326 meV
|
||||
Max: 149.060966 meV
|
||||
100.000 11.5176 0.999992E+13
|
||||
300.000 11.8044 0.100000E+14
|
||||
|
||||
epmatkqread automatically changed to .TRUE. as all scattering have been computed.
|
||||
|
||||
===================================================================
|
||||
Memory usage: VmHWM = 22Mb
|
||||
VmPeak = 438Mb
|
||||
Memory usage: VmHWM = 21Mb
|
||||
VmPeak = 299Mb
|
||||
===================================================================
|
||||
|
||||
Number of elements per core 1696
|
||||
Number of elements per core 3424
|
||||
Symmetry mapping finished
|
||||
|
||||
=============================================================================================
|
||||
|
@ -203,12 +205,12 @@
|
|||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 0.25244E-28 0.361754E-01 0.000000E+00 0.000000E+00
|
||||
0.000000E+00 0.361754E-01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.641343E+04
|
||||
300.000 11.8044 0.10000E+14 -0.54620E-22 0.124874E+02 0.000000E+00 0.000000E+00
|
||||
-0.620483E-18 0.124874E+02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.483775E+03
|
||||
100.000 11.5176 0.99999E+13 0.12925E-25 0.769890E-02 0.000000E+00 0.000000E+00
|
||||
0.000000E+00 0.769890E-02 0.000000E+00
|
||||
-0.349025E-18 0.000000E+00 0.500452E+04
|
||||
300.000 11.8044 0.10000E+14 -0.12382E-22 0.594276E+01 0.000000E+00 0.000000E+00
|
||||
0.000000E+00 0.594276E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.181733E+03
|
||||
|
||||
=============================================================================================
|
||||
Start solving iterative Boltzmann Transport Equation
|
||||
|
@ -223,14 +225,14 @@
|
|||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 0.00000E+00 0.408829E-01 0.000000E+00 0.206022E-19
|
||||
0.000000E+00 0.408829E-01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.456672E+04
|
||||
300.000 11.8044 0.10000E+14 0.00000E+00 0.148240E+02 -0.310242E-18 0.000000E+00
|
||||
-0.310242E-18 0.148240E+02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.442714E+03
|
||||
100.000 11.5176 0.99999E+13 0.00000E+00 0.877924E-02 0.000000E+00 0.387806E-19
|
||||
0.000000E+00 0.877924E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.292533E+04
|
||||
300.000 11.8044 0.10000E+14 -0.82718E-24 0.727925E+01 -0.310242E-18 0.000000E+00
|
||||
-0.310242E-18 0.727925E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.176537E+03
|
||||
|
||||
0.456672E+04 Max error
|
||||
0.292533E+04 Max error
|
||||
|
||||
Iteration number: 2
|
||||
|
||||
|
@ -240,14 +242,14 @@
|
|||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 0.00000E+00 0.415795E-01 0.000000E+00 0.000000E+00
|
||||
0.000000E+00 0.415795E-01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.517317E+04
|
||||
300.000 11.8044 0.10000E+14 0.00000E+00 0.152841E+02 -0.310242E-18 0.000000E+00
|
||||
-0.310242E-18 0.152841E+02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.446472E+03
|
||||
100.000 11.5176 0.99999E+13 0.10097E-27 0.895419E-02 0.000000E+00 0.000000E+00
|
||||
0.000000E+00 0.895419E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.389251E+04
|
||||
300.000 11.8044 0.10000E+14 0.13287E-22 0.760740E+01 -0.930725E-18 0.000000E+00
|
||||
-0.620483E-18 0.760740E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.182161E+03
|
||||
|
||||
0.606448E+03 Max error
|
||||
0.967175E+03 Max error
|
||||
|
||||
Iteration number: 3
|
||||
|
||||
|
@ -257,14 +259,14 @@
|
|||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 -0.40390E-27 0.416781E-01 0.000000E+00 0.206022E-19
|
||||
0.000000E+00 0.416781E-01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.499806E+04
|
||||
300.000 11.8044 0.10000E+14 -0.33087E-23 0.153734E+02 -0.310242E-18 0.000000E+00
|
||||
-0.620483E-18 0.153734E+02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.446155E+03
|
||||
100.000 11.5176 0.99999E+13 0.00000E+00 0.898291E-02 0.000000E+00 0.155122E-18
|
||||
0.000000E+00 0.898291E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.348981E+04
|
||||
300.000 11.8044 0.10000E+14 -0.14863E-22 0.768808E+01 -0.310242E-18 0.000000E+00
|
||||
-0.620483E-18 0.768808E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.182419E+03
|
||||
|
||||
0.175102E+03 Max error
|
||||
0.402702E+03 Max error
|
||||
|
||||
Iteration number: 4
|
||||
|
||||
|
@ -274,14 +276,14 @@
|
|||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 -0.40390E-27 0.416922E-01 0.000000E+00 0.206022E-19
|
||||
0.000000E+00 0.416922E-01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.505545E+04
|
||||
300.000 11.8044 0.10000E+14 0.56248E-22 0.153908E+02 -0.310242E-18 0.000000E+00
|
||||
-0.620483E-18 0.153908E+02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.446184E+03
|
||||
100.000 11.5176 0.99999E+13 -0.13026E-25 0.898759E-02 0.000000E+00 0.000000E+00
|
||||
0.000000E+00 0.898759E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.367695E+04
|
||||
300.000 11.8044 0.10000E+14 -0.51699E-25 0.770805E+01 -0.310242E-18 0.000000E+00
|
||||
0.000000E+00 0.770805E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.183114E+03
|
||||
|
||||
0.573851E+02 Max error
|
||||
0.187145E+03 Max error
|
||||
|
||||
Iteration number: 5
|
||||
|
||||
|
@ -291,14 +293,14 @@
|
|||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 0.40390E-27 0.416942E-01 0.000000E+00 0.000000E+00
|
||||
0.000000E+00 0.416942E-01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.503885E+04
|
||||
300.000 11.8044 0.10000E+14 -0.33087E-23 0.153942E+02 -0.310242E-18 0.000000E+00
|
||||
-0.310242E-18 0.153942E+02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.446181E+03
|
||||
100.000 11.5176 0.99999E+13 0.12925E-25 0.898835E-02 0.000000E+00 0.000000E+00
|
||||
0.000000E+00 0.898835E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.359895E+04
|
||||
300.000 11.8044 0.10000E+14 0.13287E-22 0.771298E+01 -0.310242E-18 0.000000E+00
|
||||
0.000000E+00 0.771298E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.183166E+03
|
||||
|
||||
0.166027E+02 Max error
|
||||
0.780007E+02 Max error
|
||||
|
||||
Iteration number: 6
|
||||
|
||||
|
@ -308,14 +310,14 @@
|
|||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 0.00000E+00 0.416945E-01 0.000000E+00 0.000000E+00
|
||||
0.000000E+00 0.416945E-01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.504428E+04
|
||||
300.000 11.8044 0.10000E+14 0.00000E+00 0.153948E+02 -0.310242E-18 0.000000E+00
|
||||
-0.930725E-18 0.153948E+02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.446182E+03
|
||||
100.000 11.5176 0.99999E+13 0.12824E-25 0.898848E-02 0.000000E+00 -0.155122E-18
|
||||
0.000000E+00 0.898848E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.363516E+04
|
||||
300.000 11.8044 0.10000E+14 -0.16027E-23 0.771421E+01 -0.310242E-18 0.000000E+00
|
||||
-0.930725E-18 0.771421E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.183267E+03
|
||||
|
||||
0.543024E+01 Max error
|
||||
0.362128E+02 Max error
|
||||
|
||||
Iteration number: 7
|
||||
|
||||
|
@ -325,14 +327,14 @@
|
|||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 -0.40390E-27 0.416945E-01 0.000000E+00 -0.206022E-19
|
||||
0.000000E+00 0.416945E-01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.504270E+04
|
||||
300.000 11.8044 0.10000E+14 0.25849E-25 0.153950E+02 -0.310242E-18 0.000000E+00
|
||||
-0.620483E-18 0.153950E+02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.446182E+03
|
||||
100.000 11.5176 0.99999E+13 -0.12824E-25 0.898850E-02 0.000000E+00 0.000000E+00
|
||||
0.000000E+00 0.898850E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.362005E+04
|
||||
300.000 11.8044 0.10000E+14 -0.13312E-22 0.771451E+01 -0.310242E-18 0.000000E+00
|
||||
-0.930725E-18 0.771451E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.183275E+03
|
||||
|
||||
0.157417E+01 Max error
|
||||
0.151081E+02 Max error
|
||||
|
||||
Iteration number: 8
|
||||
|
||||
|
@ -342,14 +344,14 @@
|
|||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 -0.40390E-27 0.416945E-01 0.000000E+00 0.000000E+00
|
||||
0.000000E+00 0.416945E-01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.504322E+04
|
||||
300.000 11.8044 0.10000E+14 0.33087E-23 0.153950E+02 -0.310242E-18 0.000000E+00
|
||||
-0.310242E-18 0.153950E+02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.446182E+03
|
||||
100.000 11.5176 0.99999E+13 0.12925E-25 0.898850E-02 0.000000E+00 0.000000E+00
|
||||
0.000000E+00 0.898850E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.362706E+04
|
||||
300.000 11.8044 0.10000E+14 -0.11632E-22 0.771458E+01 -0.310242E-18 0.000000E+00
|
||||
-0.310242E-18 0.771458E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.183290E+03
|
||||
|
||||
0.513867E+00 Max error
|
||||
0.700730E+01 Max error
|
||||
|
||||
Iteration number: 9
|
||||
|
||||
|
@ -359,14 +361,14 @@
|
|||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 0.00000E+00 0.416945E-01 0.000000E+00 -0.206022E-19
|
||||
0.000000E+00 0.416945E-01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.504307E+04
|
||||
300.000 11.8044 0.10000E+14 -0.32829E-23 0.153950E+02 -0.310242E-18 0.000000E+00
|
||||
-0.620483E-18 0.153950E+02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.446182E+03
|
||||
100.000 11.5176 0.99999E+13 -0.13026E-25 0.898850E-02 0.000000E+00 0.155122E-18
|
||||
0.000000E+00 0.898850E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.362414E+04
|
||||
300.000 11.8044 0.10000E+14 0.16544E-23 0.771460E+01 -0.310242E-18 0.000000E+00
|
||||
-0.620483E-18 0.771460E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.183291E+03
|
||||
|
||||
0.149249E+00 Max error
|
||||
0.292629E+01 Max error
|
||||
|
||||
Iteration number: 10
|
||||
|
||||
|
@ -376,14 +378,14 @@
|
|||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 -0.40390E-27 0.416945E-01 0.000000E+00 0.000000E+00
|
||||
0.000000E+00 0.416945E-01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.504312E+04
|
||||
300.000 11.8044 0.10000E+14 0.52940E-22 0.153950E+02 -0.310242E-18 0.000000E+00
|
||||
-0.310242E-18 0.153950E+02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.446182E+03
|
||||
100.000 11.5176 0.99999E+13 0.12824E-25 0.898850E-02 0.000000E+00 0.000000E+00
|
||||
0.000000E+00 0.898850E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.362549E+04
|
||||
300.000 11.8044 0.10000E+14 -0.14889E-22 0.771461E+01 -0.310242E-18 0.000000E+00
|
||||
-0.310242E-18 0.771461E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.183293E+03
|
||||
|
||||
0.486291E-01 Max error
|
||||
0.135595E+01 Max error
|
||||
|
||||
Iteration number: 11
|
||||
|
||||
|
@ -393,14 +395,14 @@
|
|||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 0.40390E-27 0.416945E-01 0.000000E+00 -0.206022E-19
|
||||
0.000000E+00 0.416945E-01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.504310E+04
|
||||
300.000 11.8044 0.10000E+14 -0.52940E-22 0.153950E+02 -0.310242E-18 0.000000E+00
|
||||
-0.310242E-18 0.153950E+02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.446182E+03
|
||||
100.000 11.5176 0.99999E+13 -0.12824E-25 0.898850E-02 0.000000E+00 0.000000E+00
|
||||
0.000000E+00 0.898850E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.362492E+04
|
||||
300.000 11.8044 0.10000E+14 0.13287E-22 0.771461E+01 -0.310242E-18 0.000000E+00
|
||||
-0.620483E-18 0.771461E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.183294E+03
|
||||
|
||||
0.141500E-01 Max error
|
||||
0.566788E+00 Max error
|
||||
|
||||
Iteration number: 12
|
||||
|
||||
|
@ -410,14 +412,14 @@
|
|||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 0.00000E+00 0.416945E-01 0.000000E+00 0.000000E+00
|
||||
0.000000E+00 0.416945E-01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.504311E+04
|
||||
300.000 11.8044 0.10000E+14 -0.49631E-22 0.153950E+02 -0.310242E-18 0.000000E+00
|
||||
-0.310242E-18 0.153950E+02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.446182E+03
|
||||
100.000 11.5176 0.99999E+13 -0.25748E-25 0.898850E-02 0.000000E+00 0.155122E-18
|
||||
0.000000E+00 0.898850E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.362519E+04
|
||||
300.000 11.8044 0.10000E+14 0.25849E-25 0.771461E+01 -0.310242E-18 0.000000E+00
|
||||
-0.930725E-18 0.771461E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.183294E+03
|
||||
|
||||
0.460207E-02 Max error
|
||||
0.262385E+00 Max error
|
||||
|
||||
Iteration number: 13
|
||||
|
||||
|
@ -427,14 +429,14 @@
|
|||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 0.00000E+00 0.416945E-01 0.000000E+00 0.000000E+00
|
||||
0.000000E+00 0.416945E-01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.504311E+04
|
||||
300.000 11.8044 0.10000E+14 0.49631E-22 0.153950E+02 -0.310242E-18 0.000000E+00
|
||||
-0.310242E-18 0.153950E+02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.446182E+03
|
||||
100.000 11.5176 0.99999E+13 0.12925E-25 0.898850E-02 0.000000E+00 0.155122E-18
|
||||
0.000000E+00 0.898850E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.362508E+04
|
||||
300.000 11.8044 0.10000E+14 -0.13157E-22 0.771461E+01 -0.310242E-18 0.000000E+00
|
||||
-0.930725E-18 0.771461E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.183294E+03
|
||||
|
||||
0.134149E-02 Max error
|
||||
0.109779E+00 Max error
|
||||
|
||||
Iteration number: 14
|
||||
|
||||
|
@ -444,14 +446,14 @@
|
|||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 0.00000E+00 0.416945E-01 0.000000E+00 0.000000E+00
|
||||
0.000000E+00 0.416945E-01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.504311E+04
|
||||
300.000 11.8044 0.10000E+14 -0.33087E-23 0.153950E+02 -0.310242E-18 0.000000E+00
|
||||
0.000000E+00 0.153950E+02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.446182E+03
|
||||
100.000 11.5176 0.99999E+13 0.12824E-25 0.898850E-02 0.000000E+00 -0.155122E-18
|
||||
0.000000E+00 0.898850E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.362513E+04
|
||||
300.000 11.8044 0.10000E+14 0.14915E-22 0.771461E+01 -0.310242E-18 0.000000E+00
|
||||
-0.620483E-18 0.771461E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.183294E+03
|
||||
|
||||
0.435534E-03 Max error
|
||||
0.507736E-01 Max error
|
||||
|
||||
Iteration number: 15
|
||||
|
||||
|
@ -461,14 +463,14 @@
|
|||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 0.40390E-27 0.416945E-01 0.000000E+00 0.000000E+00
|
||||
0.000000E+00 0.416945E-01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.504311E+04
|
||||
300.000 11.8044 0.10000E+14 -0.33346E-23 0.153950E+02 -0.310242E-18 0.000000E+00
|
||||
-0.620483E-18 0.153950E+02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.446182E+03
|
||||
100.000 11.5176 0.99999E+13 -0.12925E-25 0.898850E-02 0.000000E+00 0.000000E+00
|
||||
0.000000E+00 0.898850E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.362511E+04
|
||||
300.000 11.8044 0.10000E+14 0.13209E-22 0.771461E+01 -0.310242E-18 0.000000E+00
|
||||
-0.620483E-18 0.771461E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.183294E+03
|
||||
|
||||
0.127177E-03 Max error
|
||||
0.212626E-01 Max error
|
||||
|
||||
Iteration number: 16
|
||||
|
||||
|
@ -478,14 +480,14 @@
|
|||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 0.00000E+00 0.416945E-01 0.000000E+00 -0.206022E-19
|
||||
0.000000E+00 0.416945E-01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.504311E+04
|
||||
300.000 11.8044 0.10000E+14 0.00000E+00 0.153950E+02 -0.310242E-18 0.000000E+00
|
||||
0.310242E-18 0.153950E+02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.446182E+03
|
||||
100.000 11.5176 0.99999E+13 -0.38774E-25 0.898850E-02 0.000000E+00 0.155122E-18
|
||||
0.000000E+00 0.898850E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.362512E+04
|
||||
300.000 11.8044 0.10000E+14 -0.11581E-22 0.771461E+01 -0.310242E-18 0.000000E+00
|
||||
-0.310242E-18 0.771461E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.183294E+03
|
||||
|
||||
0.412194E-04 Max error
|
||||
0.982518E-02 Max error
|
||||
|
||||
Iteration number: 17
|
||||
|
||||
|
@ -495,14 +497,14 @@
|
|||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 0.00000E+00 0.416945E-01 0.000000E+00 0.000000E+00
|
||||
0.000000E+00 0.416945E-01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.504311E+04
|
||||
300.000 11.8044 0.10000E+14 -0.52914E-22 0.153950E+02 -0.310242E-18 0.000000E+00
|
||||
-0.620483E-18 0.153950E+02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.446182E+03
|
||||
100.000 11.5176 0.99999E+13 -0.10097E-27 0.898850E-02 0.000000E+00 -0.155122E-18
|
||||
0.000000E+00 0.898850E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.362511E+04
|
||||
300.000 11.8044 0.10000E+14 0.13183E-22 0.771461E+01 -0.310242E-18 0.000000E+00
|
||||
-0.620483E-18 0.771461E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.183294E+03
|
||||
|
||||
0.120563E-04 Max error
|
||||
0.411821E-02 Max error
|
||||
|
||||
Iteration number: 18
|
||||
|
||||
|
@ -512,14 +514,14 @@
|
|||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 -0.40390E-27 0.416945E-01 0.000000E+00 0.000000E+00
|
||||
0.000000E+00 0.416945E-01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.504311E+04
|
||||
300.000 11.8044 0.10000E+14 -0.33087E-23 0.153950E+02 -0.310242E-18 0.000000E+00
|
||||
0.000000E+00 0.153950E+02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.446182E+03
|
||||
100.000 11.5176 0.99999E+13 0.00000E+00 0.898850E-02 0.000000E+00 0.155122E-18
|
||||
0.000000E+00 0.898850E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.362511E+04
|
||||
300.000 11.8044 0.10000E+14 0.13157E-22 0.771461E+01 -0.310242E-18 0.000000E+00
|
||||
-0.310242E-18 0.771461E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.183294E+03
|
||||
|
||||
0.390116E-05 Max error
|
||||
0.190128E-02 Max error
|
||||
|
||||
Iteration number: 19
|
||||
|
||||
|
@ -529,14 +531,14 @@
|
|||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 0.00000E+00 0.416945E-01 0.000000E+00 0.000000E+00
|
||||
0.000000E+00 0.416945E-01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.504311E+04
|
||||
300.000 11.8044 0.10000E+14 0.33087E-23 0.153950E+02 -0.310242E-18 0.000000E+00
|
||||
-0.310242E-18 0.153950E+02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.446182E+03
|
||||
100.000 11.5176 0.99999E+13 -0.12925E-25 0.898850E-02 0.000000E+00 0.000000E+00
|
||||
0.000000E+00 0.898850E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.362511E+04
|
||||
300.000 11.8044 0.10000E+14 -0.13157E-22 0.771461E+01 -0.310242E-18 0.000000E+00
|
||||
-0.620483E-18 0.771461E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.183294E+03
|
||||
|
||||
0.114290E-05 Max error
|
||||
0.797621E-03 Max error
|
||||
|
||||
Iteration number: 20
|
||||
|
||||
|
@ -546,14 +548,150 @@
|
|||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 0.00000E+00 0.416945E-01 0.000000E+00 0.000000E+00
|
||||
0.000000E+00 0.416945E-01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.504311E+04
|
||||
300.000 11.8044 0.10000E+14 -0.33087E-23 0.153950E+02 -0.310242E-18 0.000000E+00
|
||||
-0.310242E-18 0.153950E+02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.446182E+03
|
||||
100.000 11.5176 0.99999E+13 -0.13026E-25 0.898850E-02 0.000000E+00 0.155122E-18
|
||||
0.000000E+00 0.898850E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.362511E+04
|
||||
300.000 11.8044 0.10000E+14 -0.16027E-23 0.771461E+01 -0.310242E-18 0.000000E+00
|
||||
-0.310242E-18 0.771461E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.183294E+03
|
||||
|
||||
0.369228E-06 Max error
|
||||
0.367922E-03 Max error
|
||||
|
||||
Iteration number: 21
|
||||
|
||||
|
||||
=============================================================================================
|
||||
Temp Fermi Hole density Population SR Hole mobility
|
||||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 -0.13026E-25 0.898850E-02 0.000000E+00 0.155122E-18
|
||||
0.000000E+00 0.898850E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.362511E+04
|
||||
300.000 11.8044 0.10000E+14 0.13287E-22 0.771461E+01 -0.310242E-18 0.000000E+00
|
||||
0.000000E+00 0.771461E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.183294E+03
|
||||
|
||||
0.154483E-03 Max error
|
||||
|
||||
Iteration number: 22
|
||||
|
||||
|
||||
=============================================================================================
|
||||
Temp Fermi Hole density Population SR Hole mobility
|
||||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 -0.13026E-25 0.898850E-02 0.000000E+00 0.155122E-18
|
||||
0.000000E+00 0.898850E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.362511E+04
|
||||
300.000 11.8044 0.10000E+14 0.13209E-22 0.771461E+01 -0.310242E-18 0.000000E+00
|
||||
-0.930725E-18 0.771461E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.183294E+03
|
||||
|
||||
0.711981E-04 Max error
|
||||
|
||||
Iteration number: 23
|
||||
|
||||
|
||||
=============================================================================================
|
||||
Temp Fermi Hole density Population SR Hole mobility
|
||||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 -0.13026E-25 0.898850E-02 0.000000E+00 0.155122E-18
|
||||
0.000000E+00 0.898850E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.362511E+04
|
||||
300.000 11.8044 0.10000E+14 -0.17061E-23 0.771461E+01 -0.310242E-18 0.000000E+00
|
||||
-0.310242E-18 0.771461E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.183294E+03
|
||||
|
||||
0.299200E-04 Max error
|
||||
|
||||
Iteration number: 24
|
||||
|
||||
|
||||
=============================================================================================
|
||||
Temp Fermi Hole density Population SR Hole mobility
|
||||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 -0.13026E-25 0.898850E-02 0.000000E+00 0.155122E-18
|
||||
0.000000E+00 0.898850E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.362511E+04
|
||||
300.000 11.8044 0.10000E+14 0.16285E-23 0.771461E+01 -0.310242E-18 0.000000E+00
|
||||
-0.620483E-18 0.771461E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.183294E+03
|
||||
|
||||
0.137780E-04 Max error
|
||||
|
||||
Iteration number: 25
|
||||
|
||||
|
||||
=============================================================================================
|
||||
Temp Fermi Hole density Population SR Hole mobility
|
||||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 -0.13026E-25 0.898850E-02 0.000000E+00 0.155122E-18
|
||||
0.000000E+00 0.898850E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.362511E+04
|
||||
300.000 11.8044 0.10000E+14 -0.11632E-22 0.771461E+01 -0.310242E-18 0.000000E+00
|
||||
-0.620483E-18 0.771461E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.183294E+03
|
||||
|
||||
0.579483E-05 Max error
|
||||
|
||||
Iteration number: 26
|
||||
|
||||
|
||||
=============================================================================================
|
||||
Temp Fermi Hole density Population SR Hole mobility
|
||||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 -0.13026E-25 0.898850E-02 0.000000E+00 0.155122E-18
|
||||
0.000000E+00 0.898850E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.362511E+04
|
||||
300.000 11.8044 0.10000E+14 -0.11581E-22 0.771461E+01 -0.310242E-18 0.000000E+00
|
||||
-0.620483E-18 0.771461E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.183294E+03
|
||||
|
||||
0.266626E-05 Max error
|
||||
|
||||
Iteration number: 27
|
||||
|
||||
|
||||
=============================================================================================
|
||||
Temp Fermi Hole density Population SR Hole mobility
|
||||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 -0.13026E-25 0.898850E-02 0.000000E+00 0.155122E-18
|
||||
0.000000E+00 0.898850E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.362511E+04
|
||||
300.000 11.8044 0.10000E+14 -0.11581E-22 0.771461E+01 -0.310242E-18 0.000000E+00
|
||||
-0.620483E-18 0.771461E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.183294E+03
|
||||
|
||||
0.112231E-05 Max error
|
||||
|
||||
Iteration number: 28
|
||||
|
||||
|
||||
=============================================================================================
|
||||
Temp Fermi Hole density Population SR Hole mobility
|
||||
[K] [eV] [cm^-3] [h per cell] [cm^2/Vs]
|
||||
=============================================================================================
|
||||
|
||||
100.000 11.5176 0.99999E+13 -0.13026E-25 0.898850E-02 0.000000E+00 0.155122E-18
|
||||
0.000000E+00 0.898850E-02 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.362511E+04
|
||||
300.000 11.8044 0.10000E+14 -0.11581E-22 0.771461E+01 -0.310242E-18 0.000000E+00
|
||||
-0.620483E-18 0.771461E+01 0.000000E+00
|
||||
0.000000E+00 0.000000E+00 0.183294E+03
|
||||
|
||||
0.515974E-06 Max error
|
||||
|
||||
Unfolding on the coarse grid
|
||||
elphon_wrap : 0.00s CPU 0.00s WALL ( 1 calls)
|
||||
|
@ -564,21 +702,21 @@
|
|||
|
||||
|
||||
Electron-Phonon interpolation
|
||||
ephwann : 11.39s CPU 11.90s WALL ( 1 calls)
|
||||
ep-interp : 7.59s CPU 8.08s WALL ( 162 calls)
|
||||
ephwann : 18.79s CPU 19.67s WALL ( 1 calls)
|
||||
ep-interp : 14.73s CPU 15.59s WALL ( 162 calls)
|
||||
|
||||
DynW2B : 0.01s CPU 0.01s WALL ( 162 calls)
|
||||
HamW2B : 1.41s CPU 1.43s WALL ( 21909 calls)
|
||||
ephW2Bp : 1.80s CPU 2.22s WALL ( 162 calls)
|
||||
ephW2B : 0.07s CPU 0.07s WALL ( 351 calls)
|
||||
print_ibte : 0.12s CPU 0.13s WALL ( 162 calls)
|
||||
vmewan2bloch : 0.08s CPU 0.09s WALL ( 864 calls)
|
||||
vmewan2bloch : 0.08s CPU 0.09s WALL ( 864 calls)
|
||||
DynW2B : 0.02s CPU 0.02s WALL ( 162 calls)
|
||||
HamW2B : 2.79s CPU 2.82s WALL ( 43491 calls)
|
||||
ephW2Bp : 3.13s CPU 3.88s WALL ( 162 calls)
|
||||
ephW2B : 0.10s CPU 0.11s WALL ( 583 calls)
|
||||
print_ibte : 0.08s CPU 0.11s WALL ( 162 calls)
|
||||
vmewan2bloch : 0.16s CPU 0.16s WALL ( 1328 calls)
|
||||
vmewan2bloch : 0.16s CPU 0.16s WALL ( 1328 calls)
|
||||
kpoint_paral : 0.00s CPU 0.00s WALL ( 1 calls)
|
||||
|
||||
|
||||
Total program execution
|
||||
EPW : 11.39s CPU 11.90s WALL
|
||||
EPW : 18.79s CPU 19.67s WALL
|
||||
|
||||
|
||||
Please consider citing:
|
||||
|
|
File diff suppressed because it is too large
Load Diff
|
@ -17,6 +17,7 @@
|
|||
etf_mem = 1
|
||||
vme = .true.
|
||||
|
||||
lpolar = .true.
|
||||
lifc = .false.
|
||||
asr_typ = 'simple'
|
||||
|
||||
|
|
|
@ -33,6 +33,7 @@
|
|||
restart_freq = 50
|
||||
selecqread = .false.
|
||||
|
||||
lpolar = .true.
|
||||
etf_mem = 1
|
||||
vme = .true.
|
||||
|
||||
|
|
|
@ -33,6 +33,7 @@
|
|||
restart_freq = 50
|
||||
selecqread = .false.
|
||||
|
||||
lpolar = .true.
|
||||
etf_mem = 1
|
||||
vme = .true.
|
||||
|
||||
|
|
Loading…
Reference in New Issue