Restart calc
Posted: Fri Aug 14, 2015 7:17 am
Dear Developers,
I run yambo for 2 times ( it has RESTART file)
but for the 3rd time it stopped soon
here is the end of r_em1d_ppa_HF_and_locXC_gw0 file!!
[08.01] G0W0 : the P(lasmon) P(ole) A(pproximation)
===================================================
[GW/PPA] Bands range : 1 200
[GW/PPA] G damping [ev]: 0.10000
QP @ K 001 - 080 : b 001 - 200
[FFT-SC] Mesh size: 15 8 18
[RD./SAVE//db.pp]-------------------------------------------
Brillouin Zone Q/K grids (IBZ/BZ): 80 216 80 216
RL vectors (WF): 699
Coulomb cutoff potential :none
Electronic Temperature [K]: 299.9765
Bosonic Temperature [K]: 299.9765
PPA diel. fun. energies :Perdew, Burke & Ernzerhof(X)+Perdew, Burke & Ernzerhof(C)
wavefunctions :Perdew, Burke & Ernzerhof(X)+Perdew, Burke & Ernzerhof(C)
Global Gauge :length
X matrix size : 269
X band range : 1 200
X e/h energy range [ev]:-1.000000 -1.000000
X Time ordering :c
X xc-Kernel :none
X Drude frequency : 0.00 0.00
X poles [o/o]: 100.0000
Rl vectors in the sum : 699
[r,Vnl] included :yes
Field direction :0.1000E-4 0.000 0.000
BZ energy Random IM :no
BZ energy RIM points :0
PPA Im energy [ev]: 27.21138
- S/N 000016 --------------------------- v.03.04.01 r.3187 -
would you help me with this problem??
does RESTART work in any condition?
S. Ataei, University of Tehran, Iran
I run yambo for 2 times ( it has RESTART file)
but for the 3rd time it stopped soon
here is the end of r_em1d_ppa_HF_and_locXC_gw0 file!!
[08.01] G0W0 : the P(lasmon) P(ole) A(pproximation)
===================================================
[GW/PPA] Bands range : 1 200
[GW/PPA] G damping [ev]: 0.10000
QP @ K 001 - 080 : b 001 - 200
[FFT-SC] Mesh size: 15 8 18
[RD./SAVE//db.pp]-------------------------------------------
Brillouin Zone Q/K grids (IBZ/BZ): 80 216 80 216
RL vectors (WF): 699
Coulomb cutoff potential :none
Electronic Temperature [K]: 299.9765
Bosonic Temperature [K]: 299.9765
PPA diel. fun. energies :Perdew, Burke & Ernzerhof(X)+Perdew, Burke & Ernzerhof(C)
wavefunctions :Perdew, Burke & Ernzerhof(X)+Perdew, Burke & Ernzerhof(C)
Global Gauge :length
X matrix size : 269
X band range : 1 200
X e/h energy range [ev]:-1.000000 -1.000000
X Time ordering :c
X xc-Kernel :none
X Drude frequency : 0.00 0.00
X poles [o/o]: 100.0000
Rl vectors in the sum : 699
[r,Vnl] included :yes
Field direction :0.1000E-4 0.000 0.000
BZ energy Random IM :no
BZ energy RIM points :0
PPA Im energy [ev]: 27.21138
- S/N 000016 --------------------------- v.03.04.01 r.3187 -
would you help me with this problem??
does RESTART work in any condition?
S. Ataei, University of Tehran, Iran