Madan Mithra. L. M wrote: > calculation including EXX (PBE0) fails on 1D supercell. > However, the same job ran without dumping the core with pwscf 4.1.3.
the treatment of the singularity for q->0 of the exchange potential is tricky for 1D systems. It was changed in the last version to a supposedly better version. Please provide an example or file a bug report on qe-forge: http://qe-forge.org/tracker/?atid=133&group_id=10&func=browse P. -- Paolo Giannozzi, Democritos and University of Udine, Italy
