Calculte the lifetime follwing the tutorials

Concerns issues with computing quasiparticle corrections to the DFT eigenvalues - i.e., the self-energy within the GW approximation (-g n), or considering the Hartree-Fock exchange only (-x)

Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano

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kjzhang
Posts: 9
Joined: Tue May 13, 2014 9:49 am

Calculte the lifetime follwing the tutorials

Post by kjzhang » Sun May 18, 2014 12:48 pm

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
Kejun Zhang
Physics dept
University of science and technology of China, China

User avatar
Daniele Varsano
Posts: 3816
Joined: Tue Mar 17, 2009 2:23 pm
Contact:

Re: Calculte the lifetime follwing the tutorials

Post by Daniele Varsano » Sun May 18, 2014 1:20 pm

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
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/

kjzhang
Posts: 9
Joined: Tue May 13, 2014 9:49 am

Re: Calculte the lifetime follwing the tutorials

Post by kjzhang » Sun May 18, 2014 1:27 pm

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
Kejun Zhang
Physics dept
University of science and technology of China, China

User avatar
Davide Sangalli
Posts: 614
Joined: Tue May 29, 2012 4:49 pm
Location: Via Salaria Km 29.3, CP 10, 00016, Monterotondo Stazione, Italy
Contact:

Re: Calculte the lifetime follwing the tutorials

Post by Davide Sangalli » Sun May 18, 2014 3:31 pm

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
Davide Sangalli, PhD
CNR-ISM, Division of Ultrafast Processes in Materials (FLASHit) and MaX Centre
https://sites.google.com/view/davidesangalli
http://www.max-centre.eu/

kjzhang
Posts: 9
Joined: Tue May 13, 2014 9:49 am

Re: Calculte the lifetime follwing the tutorials

Post by kjzhang » Mon May 19, 2014 2:27 am

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
Kejun Zhang
Physics dept
University of science and technology of China, China

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