Search found 2 matches
- Tue Dec 13, 2016 6:34 pm
- Forum: Other tools and postprocessing in ABINIT
- Topic: BUG: ANADDB electron-phonon coupling, LOVA with use_k_fine
- Replies: 0
- Views: 3109
BUG: ANADDB electron-phonon coupling, LOVA with use_k_fine
Hello, There is a bug in the LOVA transport calculation in ANADDB. The bug only applies to the use of a denser mesh for electron velocities (use_k_fine). In the file 77_ddb/integrate_gamma_tr_lova.F90, the transport functions are calculated as a sum over (k,k') points and (m,n) bands involving the e...
- Mon Mar 24, 2014 10:40 am
- Forum: Many-body perturbation theory
- Topic: weird bug appearing only in self-consistent GW (with PAW)
- Replies: 1
- Views: 3467
weird bug appearing only in self-consistent GW (with PAW)
Dear abiniters, I experienced a SIGBUS (or SIGSEGV depending on the machine's mood) with abinit-7.6.2 here: => 70_qw/calc_vhxc_me.F90: line 526 : ABI_FREE(kinpw) This is not a limited memory problem as it is quite often the case. (i have 20GB for a bulk test calculation (2 atoms, 8 k-points in IBZ, ...