Dear QE users, I'm trying to run a MoS2 band structure calculation using QE 5.1, with HSE as functional, also noncollinear spin and SOC are considered. The SCF cycle goes fine apparently, however in the end of the calculation the program crashes, with the error.
from calbec : error # 3 size mismatch Please find attached to this message, my input file. Please if somebody has a clue about this let me know. -- ******************************************* Francisco Wellery Nunes Silva. ******************************************* Skype >> silvafwn *Ph.D*. *student at,* Universidade Federal do Ceará (UFC), Block 928, Ground Floor, Room -- 02 Caixa Postal 6030 ( Mail-Box 6030 ) C.E.P -- 60.455-900 Fortaleza - Ceará – Brasil *******************************************
MoS2_scf.in
Description: Binary data
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