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Calculte the lifetime follwing the tutorials
Posted: Sun May 18, 2014 12:48 pm
by kjzhang
Dear all,
When I practice the Yambo code following the tutorials supported on the yambo-code webpage, I get an error massage :
<---> [01] Files & I/O Directories
<---> [02] CORE Variables Setup
<---> [02.01] Unit cells
<---> [02.02] Symmetries
<---> [02.03] RL shells
<---> [02.04] K-grid lattice
<---> [02.05] Energies [ev] & Occupations
<---> [WARNING]Metallic system
<---> [03] Transferred momenta grid
<---> [03.01] G0W0 on the real axis
<---> [03.02] Lifetimes Transitions Selector
<01s> [Life-CG] R(p) Tot o/o(of R) : 3879 4650 100
<02s> [Life-CG] R(p) Tot o/o(of R) : 17740 40359 100
<03s> [Life-CG] R(p) Tot o/o(of R) : 16967 39702 100
<03s> [Life-CG] R(p) Tot o/o(of R) : 17723 39737 100
<04s> [Life-CG] R(p) Tot o/o(of R) : 8964 19676 100
<05s> [Life-CG] R(p) Tot o/o(of R) : 14644 29890 100
<06s> [Life-CG] R(p) Tot o/o(of R) : 32652 121076 100
<06s> [Life-CG] R(p) Tot o/o(of R) : 27726 119229 100
<07s> [Life-CG] R(p) Tot o/o(of R) : 28941 119386 100
<08s> [Life-CG] R(p) Tot o/o(of R) : 23632 118952 100
<09s> [Life-CG] R(p) Tot o/o(of R) : 33446 120335 100
<09s> [Life-CG] R(p) Tot o/o(of R) : 21489 59761 100
<10s> [Life-CG] R(p) Tot o/o(of R) : 13297 29704 100
<11s> [Life-CG] R(p) Tot o/o(of R) : 33520 120295 100
<12s> [Life-CG] R(p) Tot o/o(of R) : 24986 118635 100
<13s> [Life-CG] R(p) Tot o/o(of R) : 32491 119176 100
<13s> [Life-CG] R(p) Tot o/o(of R) : 16450 58982 100
<14s> [Life-CG] R(p) Tot o/o(of R) : 14640 29482 100
<15s> [Life-CG] R(p) Tot o/o(of R) : 28895 119684 100
<15s> [Life-CG] R(p) Tot o/o(of R) : 21444 58809 100
<16s> [Life-CG] R(p) Tot o/o(of R) : 8001 14494 100
<17s> [Life-CG] R(p) Tot o/o(of R) : 27581 119785 100
<18s> [Life-CG] R(p) Tot o/o(of R) : 37996 239587 100
<19s> [Life-CG] R(p) Tot o/o(of R) : 26928 118560 100
<19s> [Life-CG] R(p) Tot o/o(of R) : 27895 118849 100
<20s> [Life-CG] R(p) Tot o/o(of R) : 37959 239127 100
<21s> [Life-CG] R(p) Tot o/o(of R) : 27484 118525 100
<22s> [Life-CG] R(p) Tot o/o(of R) : 19427 59188 100
<22s> [Life-CG] R(p) Tot o/o(of R) : 12691 29443 100
<22s> [03.03] Dynamical Dielectric Matrix
<22s> [WF-Oscillators/G space loader] Wfs (re)loading | | [000%] --(E) --(X)At line 142 of file io_bulk.f90
Fortran runtime error: Cannot read from file opened for WRITE
and this is the yambo.in:
life # [R GW] GoWo Quasiparticle lifetimes
LifeTrCG= 100.0000 # [GW] [o/o] Lifetime transitions reduction
% BndsRnXd
1 | 20 | # [Xd] Polarization function bands
%
NGsBlkXd= 1 RL # [Xd] Response block size
% DmRngeXd
0.100000 | 0.100000 | eV # [Xd] Damping range
%
% LongDrXd
1.000000 | 0.000000 | 0.000000 | # [Xd] [cc] Electric Field
%
%QPkrange # [GW] QP generalized Kpoint/Band indices
1| 29| 1| 20|
%
%QPerange # [GW] QP generalized Kpoint/Energy indices
1| 29| 0.0|-1.0|
%
and the SAVE file: db.gops db.kindx s.db1 s.kb_pp_pwscf s.wf
Please help me out!
Thanks
Kejun Zhang,Physics dept,University of science and technology of China
Re: Calculte the lifetime follwing the tutorials
Posted: Sun May 18, 2014 1:20 pm
by Daniele Varsano
Dear Kejun,
that sounds a very strange error that should not happen. We will have a look at it, could you please tell us which version of the code are you using and post the report files (r_*) of your calculations.
Best,
Daniele
Re: Calculte the lifetime follwing the tutorials
Posted: Sun May 18, 2014 1:27 pm
by kjzhang
Dear Daniele,
The code version is yambo-3.4.1,and here is the r_life:
[01] Files & I/O Directories
============================
CORE databases in .
Additional I/O in .
Communications in .
Input file is yambo.in
Report file is ./r_life
[RD./SAVE//s.db1]-------------------------------------------
Bands : 20
K-points : 29
G-vectors [RL space]: 941
Components [wavefunctions]: 125
Symmetries [spatial]: 48
Spinor components : 1
Spin polarizations : 1
Temperature [ev]:0.1361E-3
Electrons : 3.000000
WF G-vectors : 244
Max atoms/species : 1
No. of atom species : 1
Magnetic symmetries : no
- S/N 005917 --------------------------- v.03.04.01 r.3187 -
[02] CORE Variables Setup
=========================
[02.01] Unit cells
==================
Unit cell is Unknown
... containing 1Al atoms
... with scaling factors [a.u.]: 3.750000 3.750000 3.750000
Direct Lattice(DL) unit cell [iru / cc(a.u.)]
A1 =-1.000000 0.000000 1.000000 -3.750000 0.000000 3.750000
A2 = 0.000000 1.000000 1.000000 0.000000 3.750000 0.000000
A3 =-1.000000 1.000000 0.000000 -3.750000 3.750000 0.000000
DL volume [au]: 105.4688
Reciprocal Lattice(RL) unit cell [iku / cc]
B1 =-0.500000 -0.500000 0.500000 -0.837758 -0.837758 0.837758
B1 = 0.500000 0.500000 0.500000 0.837758 0.837758 0.837758
B1 =-0.500000 0.500000 -0.500000 -0.837758 0.837758 -0.837758
[02.02] Symmetries
==================
DL (S)ymmetries [cc]
[S1] 1.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 1.000000
[S2]-1.000000 0.000000 0.000000 0.000000 -1.000000 0.000000 0.000000 0.000000 1.000000
[S3]-1.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 -1.000000
[S4] 1.000000 0.000000 0.000000 0.000000 -1.000000 0.000000 0.000000 0.000000 -1.000000
[S5] 0.000000 1.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 -1.000000
[S6] 0.000000 -1.000000 0.000000 -1.000000 0.000000 0.000000 0.000000 0.000000 -1.000000
[S7] 0.000000 -1.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000
[S8] 0.000000 1.000000 0.000000 -1.000000 0.000000 0.000000 0.000000 0.000000 1.000000
[S9] 0.000000 0.000000 1.000000 0.000000 -1.000000 0.000000 1.000000 0.000000 0.000000
[S10] 0.000000 0.000000 -1.000000 0.000000 -1.000000 0.000000 -1.000000 0.000000 0.000000
[S11] 0.000000 0.000000 -1.000000 0.000000 1.000000 0.000000 1.000000 0.000000 0.000000
[S12] 0.000000 0.000000 1.000000 0.000000 1.000000 0.000000 -1.000000 0.000000 0.000000
[S13]-1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 1.000000 0.000000
[S14]-1.000000 0.000000 0.000000 0.000000 0.000000 -1.000000 0.000000 -1.000000 0.000000
[S15] 1.000000 0.000000 0.000000 0.000000 0.000000 -1.000000 0.000000 1.000000 0.000000
[S16] 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 -1.000000 0.000000
[S17] 0.000000 0.000000 1.000000 1.000000 0.000000 0.000000 0.000000 1.000000 0.000000
[S18] 0.000000 0.000000 -1.000000 -1.000000 0.000000 0.000000 0.000000 1.000000 0.000000
[S19] 0.000000 0.000000 -1.000000 1.000000 0.000000 0.000000 0.000000 -1.000000 0.000000
[S20] 0.000000 0.000000 1.000000 -1.000000 0.000000 0.000000 0.000000 -1.000000 0.000000
[S21] 0.000000 1.000000 0.000000 0.000000 0.000000 1.000000 1.000000 0.000000 0.000000
[S22] 0.000000 -1.000000 0.000000 0.000000 0.000000 -1.000000 1.000000 0.000000 0.000000
[S23] 0.000000 -1.000000 0.000000 0.000000 0.000000 1.000000 -1.000000 0.000000 0.000000
[S24] 0.000000 1.000000 0.000000 0.000000 0.000000 -1.000000 -1.000000 0.000000 0.000000
[S25]-1.000000 0.000000 0.000000 0.000000 -1.000000 0.000000 0.000000 0.000000 -1.000000
[S26] 1.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 -1.000000
[S27] 1.000000 0.000000 0.000000 0.000000 -1.000000 0.000000 0.000000 0.000000 1.000000
[S28]-1.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 1.000000
[S29] 0.000000 -1.000000 0.000000 -1.000000 0.000000 0.000000 0.000000 0.000000 1.000000
[S30] 0.000000 1.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000
[S31] 0.000000 1.000000 0.000000 -1.000000 0.000000 0.000000 0.000000 0.000000 -1.000000
[S32] 0.000000 -1.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 -1.000000
[S33] 0.000000 0.000000 -1.000000 0.000000 1.000000 0.000000 -1.000000 0.000000 0.000000
[S34] 0.000000 0.000000 1.000000 0.000000 1.000000 0.000000 1.000000 0.000000 0.000000
[S35] 0.000000 0.000000 1.000000 0.000000 -1.000000 0.000000 -1.000000 0.000000 0.000000
[S36] 0.000000 0.000000 -1.000000 0.000000 -1.000000 0.000000 1.000000 0.000000 0.000000
[S37] 1.000000 0.000000 0.000000 0.000000 0.000000 -1.000000 0.000000 -1.000000 0.000000
[S38] 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 1.000000 0.000000
[S39]-1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 -1.000000 0.000000
[S40]-1.000000 0.000000 0.000000 0.000000 0.000000 -1.000000 0.000000 1.000000 0.000000
[S41] 0.000000 0.000000 -1.000000 -1.000000 0.000000 0.000000 0.000000 -1.000000 0.000000
[S42] 0.000000 0.000000 1.000000 1.000000 0.000000 0.000000 0.000000 -1.000000 0.000000
[S43] 0.000000 0.000000 1.000000 -1.000000 0.000000 0.000000 0.000000 1.000000 0.000000
[S44] 0.000000 0.000000 -1.000000 1.000000 0.000000 0.000000 0.000000 1.000000 0.000000
[S45] 0.000000 -1.000000 0.000000 0.000000 0.000000 -1.000000 -1.000000 0.000000 0.000000
[S46] 0.000000 1.000000 0.000000 0.000000 0.000000 1.000000 -1.000000 0.000000 0.000000
[S47] 0.000000 1.000000 0.000000 0.000000 0.000000 -1.000000 1.000000 0.000000 0.000000
[S48] 0.000000 -1.000000 0.000000 0.000000 0.000000 1.000000 1.000000 0.000000 0.000000
[SYMs] K-space Time-reversal not included
[SYMs] Spatial inversion 25 is a symmetry
[SYMs] Group table built correctly
[02.03] RL shells
=================
Shells, format: [S#] G_RL(mHa)
[S33]:941(0.3193E+5) [S32]:893(0.3088E+5) [S31]:869(0.2948E+5) [S30]:821(0.2913E+5)
[S29]:749(0.2807E+5) [S28]:725(0.2667E+5) [S27]:701(0.2632E+5) [S26]:645(0.2527E+5)
[S25]:609(0.2386E+5) [S24]:561(0.2351E+5) [S23]:537(0.2246E+5) [S22]:531(0.2070E+5)
[S21]:459(0.1965E+5) [S20]:411(0.1825E+5) [S19]:387(0.1790E+5) [S18]:339(0.1684E+5)
[S17]:331(0.1544E+5) [S16]:307(0.1509E+5) [S15]:283(0.1404E+5) [S14]:259(0.1263E+5)
[S13]:229(0.1228E+5) [S12]:181(0.1123E+5) [S11]:169( 9475.) [S10]:137( 8422.)
[S9]:113( 7018.) [S8]:89( 6667.) [S7]:65( 5615.) [S6]:59( 4211.)
...
[S12]:181(0.1123E+5) [S11]:169( 9475.) [S10]:137( 8422.) [S9]:113( 7018.)
[S8]:89( 6667.) [S7]:65( 5615.) [S6]:59( 4211.) [S5]:51( 3860.)
[S4]:27( 2807.) [S3]:15( 1404.) [S2]:9( 1053.) [S1]:1( 0.000000)
[02.04] K-grid lattice
======================
Compatible Grid is 3D
B1 [rlu]=0.388E-09 0.388E-09 -.125
B2 =-.388E-09 -.125 -.388E-09
B3 =-.125 -.388E-09 0.388E-09
Grid dimensions : 8 8 8
K lattice UC volume [au]: 0.0046
[02.05] Energies [ev] & Occupations
===================================
Fermi Level [ev]: 8.421874
Electronic Temp. [ev K]: 0.1361E-3 1.579
Bosonic Temp. [ev K]: 0.1361E-3 1.579
El. density [cm-3]: 0.192E+24
States summary : Full Metallic Empty
0001-0001 0002-0003 0004-0020
[WARNING]Metallic system
N of el / N of met el: 3.000000 1.035919
Average metallic occ.: 0.517960
X BZ K-points : 512
Energy unit is electronVolt [eV]
*X* K [1] : 0.000000 0.000000 0.000000 (cc ) * Comp.s 113 * weight 0.0020
0.000000 0.000000 0.000000 (iku)
E -11.61292 12.75617 12.75617 12.75617 14.13334 14.13334 14.13334 16.63791
E 20.04530 20.04530 22.61753 24.81349 24.81349 24.81349 32.24915 56.03616
*X* K [2] :-0.104720 0.104720 -0.104720 (cc ) * Comp.s 116 * weight 0.01563
-0.06250 0.06250 -0.06250 (iku)
E -11.16826 8.31580 11.75254 11.75254 14.83612 15.74735 15.74735 18.08189
E 18.08189 20.22716 21.20585 26.71182 27.80510 27.80510 34.02740 49.26443
*X* K [3] :-0.209440 0.209440 -0.209440 (cc ) * Comp.s 117 * weight 0.01563
-0.125000 0.125000 -0.125000 (iku)
E -9.84461 3.36341 10.97056 10.97056 14.53297 14.91559 14.91559 18.95008
E 19.23402 19.23402 25.02579 31.45832 33.09986 33.09986 38.29747 41.75739
*X* K [4] :-0.314159 0.314159 -0.314159 (cc ) * Comp.s 114 * weight 0.01563
-0.187500 0.187500 -0.187500 (iku)
E -7.67833 -1.01357 10.87927 10.87927 12.86775 12.86775 14.63233 16.91529
E 22.98293 22.98293 29.01097 34.63936 34.63936 37.92355 40.12818 40.12818
*X* K [5] : 0.418879 -0.418879 0.418879 (cc ) * Comp.s 120 * weight 0.0078
0.250000 -0.250000 0.250000 (iku)
E -4.82815 -4.60563 11.47122 11.47122 11.53954 11.53954 15.29163 15.55950
E 26.00186 26.00186 30.88436 30.88436 31.32953 37.44440 45.33093 46.44284
*X* K [6] : 0.000000 0.209440 0.000000 (cc ) * Comp.s 117 * weight 0.01172
0.000000 0.125000 0.000000 (iku)
E -11.02044 9.95646 9.95646 10.15597 13.05956 14.83221 17.79478 17.79478
E 20.41667 20.60372 23.79519 25.53912 25.53912 29.04138 35.41510 49.22695
*X* K [7] :-0.104720 0.314159 -0.104720 (cc ) * Comp.s 119 * weight 0.04688
-0.06250 0.187500 -0.06250 (iku)
E -9.99163 5.24522 8.88116 10.42054 11.69600 14.27688 18.31168 18.50543
E 21.13869 22.17237 25.00337 29.10273 29.81712 31.97899 39.85587 41.61719
*X* K [8] :-0.209440 0.418879 -0.209440 (cc ) * Comp.s 112 * weight 0.04688
-0.125000 0.250000 -0.125000 (iku)
E -8.10689 0.71642 8.53575 9.24470 10.30236 16.46219 17.16631 18.67288
E 20.17204 24.47460 29.38523 33.72826 35.42377 36.19294 36.80604 38.98684
*X* K [9] : 0.523599 -0.314159 0.523599 (cc ) * Comp.s 115 * weight 0.04688
0.312500 -0.187500 0.312500 (iku)
E -5.42237 -3.19061 7.60609 8.91124 10.74271 14.88455 17.71585 19.00399
E 22.22972 26.11593 31.21963 31.49475 33.58031 40.11859 42.27999 42.85970
*X* K [10] : 0.418879 -0.209440 0.418879 (cc ) * Comp.s 114 * weight 0.04688
0.250000 -0.125000 0.250000 (iku)
E -6.40148 -1.96971 6.72044 10.01904 11.94489 14.01810 16.92119 19.95326
E 22.12237 24.26527 29.84288 32.74553 35.83861 37.97118 40.55502 41.80477
*X* K [11] : 0.314159 -0.104720 0.314159 (cc ) * Comp.s 116 * weight 0.04688
0.187500 -0.06250 0.187500 (iku)
E -8.82773 2.13606 6.62844 11.84596 13.86396 13.87383 16.49038 18.03815
E 20.31874 22.70745 28.26994 31.72913 33.86268 35.72017 38.18795 42.02543
*X* K [12] : 0.209440 0.000000 0.209440 (cc ) * Comp.s 117 * weight 0.02344
0.125000 0.000000 0.125000 (iku)
E -10.43097 6.38189 7.74994 13.90936 14.10297 15.57564 16.03316 16.32860
E 18.03528 23.56525 23.70203 26.73961 29.35152 32.56646 37.02182 42.16774
*X* K [13] : 0.000000 0.418879 0.000000 (cc ) * Comp.s 125 * weight 0.01172
0.000000 0.250000 0.000000 (iku)
E -9.26314 7.35987 7.54660 7.54660 8.26492 11.19324 22.24320 22.32340
E 22.32340 26.74549 27.29315 28.14294 28.14294 31.76288 42.21533 42.30202
*X* K [14] :-0.104720 0.523599 -0.104720 (cc ) * Comp.s 118 * weight 0.04688
-0.06250 0.312500 -0.06250 (iku)
E -7.67904 3.12548 5.55319 6.95136 8.41516 12.56718 20.72454 22.94880
E 25.71198 25.96735 31.09832 32.14429 33.83171 34.98761 35.47151 38.17661
*X* K [15] : 0.628319 -0.209440 0.628319 (cc ) * Comp.s 113 * weight 0.04688
0.375000 -0.125000 0.375000 (iku)
E -5.28635 -0.90290 3.60739 7.08153 8.79286 16.27129 19.02529 21.98751
E 25.17934 26.53081 31.80103 33.02309 35.88049 38.47457 39.49652 42.32542
*X* K [16] : 0.523599 -0.104720 0.523599 (cc ) * Comp.s 114 * weight 0.04688
0.312500 -0.06250 0.312500 (iku)
E -4.31563 -2.14398 2.47698 7.93689 9.81157 17.94018 19.81715 21.31586
E 21.99362 25.10195 28.95626 35.12185 37.47786 39.08064 43.40747 44.64603
*X* K [17] : 0.418879 0.000000 0.418879 (cc ) * Comp.s 117 * weight 0.02344
0.250000 0.000000 0.250000 (iku)
E -6.96721 1.09285 2.73903 9.52630 11.56055 17.34096 17.81500 18.93007
E 21.58994 26.20483 28.32013 30.99906 36.83627 37.41395 42.74045 43.16914
*X* K [18] : 0.000000 0.628319 0.000000 (cc ) * Comp.s 113 * weight 0.01172
0.000000 0.375000 0.000000 (iku)
E -6.40451 2.49971 5.63098 6.11076 6.11076 9.78329 24.79496 26.13703
E 26.13703 31.33950 33.10172 33.10172 34.36765 34.52691 36.16829 37.16632
*X* K [19] : 0.733038 -0.104720 0.733038 (cc ) * Comp.s 114 * weight 0.04688
0.437500 -0.06250 0.437500 (iku)
E -4.34229 0.23799 2.12021 5.99265 7.31629 11.63511 23.74899 25.90932
E 27.27719 31.13532 33.40604 33.64671 36.49310 36.81314 37.77852 39.62040
*X* K [20] : 0.628319 0.000000 0.628319 (cc ) * Comp.s 110 * weight 0.02344
0.375000 0.000000 0.375000 (iku)
E -2.05075 -1.55454 -0.47462 6.60039 8.25218 15.85888 22.29226 22.90042
E 23.68291 28.25554 33.63355 34.23282 37.97367 39.13138 40.55044 42.26125
*X* K [21] : 0.000000 -0.837758 0.000000 (cc ) * Comp.s 116 * weight 0.0059
0.000000 -0.500000 0.000000 (iku)
E -3.09246 -1.78097 5.04837 5.63113 5.63113 9.27177 26.74848 28.43561
E 28.43561 32.93050 32.93050 33.04317 33.58714 36.47062 41.87992 41.87992
*X* K [22] :-0.209440 0.418879 0.000000 (cc ) * Comp.s 114 * weight 0.04688
-0.125000 0.250000 0.000000 (iku)
E -8.68290 3.73569 5.28466 8.83160 12.22719 14.04948 17.22677 20.62465
E 22.35571 25.74574 26.77786 31.53914 32.89365 35.66213 35.92311 42.70631
*X* K [23] : 0.523599 -0.314159 0.733038 (cc ) * Comp.s 115 * weight 0.09375
0.312500 -0.187500 0.437500 (iku)
E -6.543 0.5239E-3 4.549 6.677 12.88 15.03 17.23 21.38
E 23.98322 24.96569 29.92280 32.79713 35.53046 37.90931 39.17731 42.57470
*X* K [24] : 0.418879 -0.209440 0.628319 (cc ) * Comp.s 112 * weight 0.04688
0.250000 -0.125000 0.375000 (iku)
E -3.77012 -3.46438 4.87574 5.53782 13.37960 13.93727 20.58071 21.02815
E 23.32730 23.76677 31.67674 32.05573 37.61383 40.09662 41.01934 43.10370
*X* K [25] : 0.628319 -0.209440 0.837758 (cc ) * Comp.s 116 * weight 0.04688
0.375000 -0.125000 0.500000 (iku)
E -5.84453 2.14544 2.86342 4.00279 10.68597 12.82681 19.70031 25.78409
E 25.89559 29.18880 31.18131 32.11712 35.92695 36.47791 39.21228 39.37580
*X* K [26] : 0.523599 -0.104720 0.733038 (cc ) * Comp.s 110 * weight 0.09375
0.312500 -0.06250 0.437500 (iku)
E -3.25627 -1.08456 1.36157 3.64574 11.93520 16.14183 18.22788 22.03456
E 26.24849 29.28938 32.72971 33.86242 36.59801 38.09930 39.82086 42.07037
*X* K [27] : 0.418879 0.000000 0.628319 (cc ) * Comp.s 109 * weight 0.04688
0.250000 0.000000 0.375000 (iku)
E -4.17901 -0.48174 1.08763 4.74576 13.18007 16.54109 17.77511 21.20301
E 24.55086 27.82855 31.39835 32.03751 37.75583 39.19873 42.33369 44.32717
*X* K [28] :-0.209440 -0.837758 0.000000 (cc ) * Comp.s 108 * weight 0.02344
-0.125000 -0.500000 0.000000 (iku)
E -2.57173 -1.22157 1.61714 3.33483 10.16341 12.38055 22.82971 23.32527
E 28.58001 33.10423 33.34376 33.79109 36.72908 37.20789 38.62080 39.18823
*X* K [29] :-0.418879 -0.837758 0.000000 (cc ) * Comp.s 108 * weight 0.01172
-0.250000 -0.500000 0.000000 (iku)
E -1.00664 -1.00664 -0.04849 1.21328 16.04088 16.04088 16.44543 18.80478
E 28.73421 33.48670 34.31505 34.31505 36.22416 36.22416 36.66348 37.97110
[03] Transferred momenta grid
=============================
[RD./SAVE//db.kindx]----------------------------------------
Polarization last K : 29
QP states : 1 29
X grid is uniform :yes
BS scattering :no
- S/N 005917 --------------------------- v.03.04.01 r.3187 -
IBZ Q-points : 29
BZ Q-points : 512
Q [00001] : 0.00 0.00 0.00 (iku) * weight 0.0020
Q [00002] : -0.06250 0.06250 -0.06250 (iku) * weight 0.01563
Q [00003] :-0.125000 0.125000 -0.125000 (iku) * weight 0.01563
Q [00004] :-0.187500 0.187500 -0.187500 (iku) * weight 0.01563
Q [00005] : 0.250000 -0.250000 0.250000 (iku) * weight 0.0078
Q [00006] : 0.000000 0.125000 0.000000 (iku) * weight 0.01172
Q [00007] : -0.06250 0.18750 -0.06250 (iku) * weight 0.04688
Q [00008] :-0.125000 0.250000 -0.125000 (iku) * weight 0.04688
Q [00009] :-0.187500 0.312500 -0.187500 (iku) * weight 0.04688
Q [00010] : 0.250000 -0.125000 0.250000 (iku) * weight 0.04688
Q [00011] : 0.18750 -0.06250 0.18750 (iku) * weight 0.04688
Q [00012] : 0.125000 0.000000 0.125000 (iku) * weight 0.02344
Q [00013] : 0.000000 0.250000 0.000000 (iku) * weight 0.01172
Q [00014] : -0.06250 0.31250 -0.06250 (iku) * weight 0.04688
Q [00015] :-0.125000 0.375000 -0.125000 (iku) * weight 0.04688
Q [00016] : 0.31250 -0.06250 0.31250 (iku) * weight 0.04688
Q [00017] : 0.250000 0.000000 0.250000 (iku) * weight 0.02344
Q [00018] : 0.000000 0.375000 0.000000 (iku) * weight 0.01172
Q [00019] : -0.06250 0.43750 -0.06250 (iku) * weight 0.04688
Q [00020] : 0.375000 0.000000 0.375000 (iku) * weight 0.02344
Q [00021] : 0.000000 -0.500000 0.000000 (iku) * weight 0.0059
Q [00022] :-0.125000 0.250000 0.000000 (iku) * weight 0.04688
Q [00023] : -0.18750 0.31250 -0.06250 (iku) * weight 0.09375
Q [00024] : 0.250000 -0.125000 0.375000 (iku) * weight 0.04688
Q [00025] :-0.125000 0.375000 0.000000 (iku) * weight 0.04688
Q [00026] : -0.18750 0.43750 -0.06250 (iku) * weight 0.09375
Q [00027] : 0.250000 0.000000 0.375000 (iku) * weight 0.04688
Q [00028] :-0.125000 -0.500000 0.000000 (iku) * weight 0.02344
Q [00029] :-0.250000 -0.500000 0.000000 (iku) * weight 0.01172
Q [00001] : 0.00 0.00 0.00 (cc ) * weight 0.0020
Q [00002] : -0.10472 0.10472 -0.10472 (cc ) * weight 0.01563
Q [00003] :-0.209440 0.209440 -0.209440 (cc ) * weight 0.01563
Q [00004] :-0.314159 0.314159 -0.314159 (cc ) * weight 0.01563
Q [00005] : 0.418879 -0.418879 0.418879 (cc ) * weight 0.0078
Q [00006] : 0.000000 0.209440 0.000000 (cc ) * weight 0.01172
Q [00007] : -0.10472 0.31416 -0.10472 (cc ) * weight 0.04688
Q [00008] :-0.209440 0.418879 -0.209440 (cc ) * weight 0.04688
Q [00009] :-0.314159 0.523599 -0.314159 (cc ) * weight 0.04688
Q [00010] : 0.418879 -0.209440 0.418879 (cc ) * weight 0.04688
Q [00011] : 0.31416 -0.10472 0.31416 (cc ) * weight 0.04688
Q [00012] : 0.209440 0.000000 0.209440 (cc ) * weight 0.02344
Q [00013] : 0.000000 0.418879 0.000000 (cc ) * weight 0.01172
Q [00014] : -0.10472 0.52360 -0.10472 (cc ) * weight 0.04688
Q [00015] :-0.209440 0.628319 -0.209440 (cc ) * weight 0.04688
Q [00016] : 0.52360 -0.10472 0.52360 (cc ) * weight 0.04688
Q [00017] : 0.418879 0.000000 0.418879 (cc ) * weight 0.02344
Q [00018] : 0.000000 0.628319 0.000000 (cc ) * weight 0.01172
Q [00019] : -0.10472 0.73304 -0.10472 (cc ) * weight 0.04688
Q [00020] : 0.628319 0.000000 0.628319 (cc ) * weight 0.02344
Q [00021] : 0.000000 -0.837758 0.000000 (cc ) * weight 0.0059
Q [00022] :-0.209440 0.418879 0.000000 (cc ) * weight 0.04688
Q [00023] : -0.31416 0.52360 -0.10472 (cc ) * weight 0.09375
Q [00024] : 0.418879 -0.209440 0.628319 (cc ) * weight 0.04688
Q [00025] :-0.209440 0.628319 0.000000 (cc ) * weight 0.04688
Q [00026] : -0.31416 0.73304 -0.10472 (cc ) * weight 0.09375
Q [00027] : 0.418879 0.000000 0.628319 (cc ) * weight 0.04688
Q [00028] :-0.209440 -0.837758 0.000000 (cc ) * weight 0.02344
Q [00029] :-0.418879 -0.837758 0.000000 (cc ) * weight 0.01172
[03.01] G0W0 on the real axis
=============================
[GW] G damping [ev]: 0.100000
QP @ K 001 - 029 : b 001 - 020
[03.02] Lifetimes Transitions Selector
======================================
[Life-CG] R(p) Tot o/o(of R) : 3879 4650 100
[Life-CG] R(p) Tot o/o(of R) : 17740 40359 100
[Life-CG] R(p) Tot o/o(of R) : 16967 39702 100
[Life-CG] R(p) Tot o/o(of R) : 17723 39737 100
[Life-CG] R(p) Tot o/o(of R) : 8964 19676 100
[Life-CG] R(p) Tot o/o(of R) : 14644 29890 100
[Life-CG] R(p) Tot o/o(of R) : 32652 121076 100
[Life-CG] R(p) Tot o/o(of R) : 27726 119229 100
[Life-CG] R(p) Tot o/o(of R) : 28941 119386 100
[Life-CG] R(p) Tot o/o(of R) : 23632 118952 100
[Life-CG] R(p) Tot o/o(of R) : 33446 120335 100
[Life-CG] R(p) Tot o/o(of R) : 21489 59761 100
[Life-CG] R(p) Tot o/o(of R) : 13297 29704 100
[Life-CG] R(p) Tot o/o(of R) : 33520 120295 100
[Life-CG] R(p) Tot o/o(of R) : 24986 118635 100
[Life-CG] R(p) Tot o/o(of R) : 32491 119176 100
[Life-CG] R(p) Tot o/o(of R) : 16450 58982 100
[Life-CG] R(p) Tot o/o(of R) : 14640 29482 100
[Life-CG] R(p) Tot o/o(of R) : 28895 119684 100
[Life-CG] R(p) Tot o/o(of R) : 21444 58809 100
[Life-CG] R(p) Tot o/o(of R) : 8001 14494 100
[Life-CG] R(p) Tot o/o(of R) : 27581 119785 100
[Life-CG] R(p) Tot o/o(of R) : 37996 239587 100
[Life-CG] R(p) Tot o/o(of R) : 26928 118560 100
[Life-CG] R(p) Tot o/o(of R) : 27895 118849 100
[Life-CG] R(p) Tot o/o(of R) : 37959 239127 100
[Life-CG] R(p) Tot o/o(of R) : 27484 118525 100
[Life-CG] R(p) Tot o/o(of R) : 19427 59188 100
[Life-CG] R(p) Tot o/o(of R) : 12691 29443 100
[03.03] Dynamical Dielectric Matrix
===================================
Thanks!
Best,
Zhang
Kejun Zhang,Physics dept,University of science and technology of China
Re: Calculte the lifetime follwing the tutorials
Posted: Sun May 18, 2014 3:31 pm
by Davide Sangalli
Dear Kejun Zhang,
I see you comiled yambo without linking the netcdf library.
Unfortunatly the non-NETCDF I/O is poorly supported
I would suggest you to try to compile yambo linking the netcdf library. Then you should be able to solve your problem.
http://www.yambo-code.org/download/installing.php
Best,
Davide
Re: Calculte the lifetime follwing the tutorials
Posted: Mon May 19, 2014 2:27 am
by kjzhang
Dear Davide,
As what you said, I compiled the Yambo cade without linking the netcdf library.Last night, I calculated the DFT grandstate by PWscf and then rerun yambo, then succeed.For the first time calculation, I copied the the ./SAVE to a new directory,and I ran Yambo in the new directory.I think this step induce the strange error.As you reply,the non-NETCDF I/O
is poorly supported.I'll recompile yambo linking the netcdf library following your suggestion.
Thank you very much!
Best,
Kejun Zhang
Kejun Zhang,Physics dept,University of science and technology of China