idoldog wrote: > i can get a successful calculation using a large mixing_beta=16 but for > mixing_beta=8 it failed.
really? mixing_beta typically is between 0.1 and 0.7 > i always meet a situation that jobs still run but it didn't output > informations > and modify the data in out directory (just like endless loops) when i use > david > diagonalization. that might be caused by poor resources. for cg > diagonalization, > everything is OK. please provide a test job -- Paolo Giannozzi, Democritos and University of Udine, Italy