[Wien] Re:Re:Error in dstart when calculating a 64-nonequivalent-atom unit cell

[wien2k]

Dear Prof. Blaha,

I've figured out the problem I met. It is the setting of foregrounding
time limit that the error in dstart lies in. Programs will be killed after
about 15 minutes when they are running in foregrounding (not in
background). I've revised the setting of the system, and the step of
init goes well this time.

Thank you for your suggestion, anyway.

Best wishes,


G.L. Li

PhD Candidate
Department of Physics
Nanjing University
Nanjing, 210093, P. R. China
Tel: 086-25-83686301
E-mail: wien2k at 163.com

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