[ERROR] STOP signal received while in :[04] Dipoles
Posted: Sun May 17, 2020 9:29 am
Dear developers:
I was trying to calculate quasi-particle band structure following tutorials on your website. Everything goes fine with you example hBN. But when I try it with my own structure, following errors occured when calculating exchange self energy:
The input file for yambo gw_ppa.in is exactly the same as in you totutial. I'm not sure what went wrong. Any suggestions would be appreciated.
Thanks in advance.
I was trying to calculate quasi-particle band structure following tutorials on your website. Everything goes fine with you example hBN. But when I try it with my own structure, following errors occured when calculating exchange self energy:
Code: Select all
<---> [01] CPU structure, Files & I/O Directories
<---> [02] CORE Variables Setup
<---> [02.01] Unit cells
<---> [02.02] Symmetries
<---> [02.03] RL shells
<---> [02.04] K-grid lattice
<---> Grid dimensions : 8 8 8
<---> [02.05] Energies [ev] & Occupations
<---> [03] Transferred momenta grid
<---> [MEMORY] Alloc bare_qpg( 625.6920Mb) TOTAL: 646.3990Mb (traced) 8.060000Mb (memstat)
<01s> [04] Dipoles
<01s> [DIP] Checking dipoles header
<01s> [WARNING] DIPOLES database not correct or not present
<01s> [WARNING]Allocation attempt of DIP_iR of zero size.
<01s> [WARNING]Allocation attempt of DIP_P of zero size.
<01s> [WARNING]Allocation attempt of DIP_v of zero size.
<01s> [x,Vnl] computed using 180 projectors
<01s> [WARNING] [x,Vnl] slows the Dipoles computation. To neglect it rename the ns.kb_pp file
<21s> [DIP] Writing dipoles header
[ERROR] STOP signal received while in :[04] Dipoles
[ERROR] File ./a//ndb.dipoles_fragment_1; Variable DIP_iR_k_0001_spin_0001; NetCDF: HDF error
Thanks in advance.