Zhenbin Wang

Sorry. I was busy with my paper and thesis for graduation. I will get it done ASAP. On Fri, Feb 2, 2018 at 12:18 PM, Anubhav Jain wrote: > @zbwang...

I had some experience in running calculations with EDIFFG (e.g -0.03) using custodian. These calcs start from the MP double-relaxed structures. I still met many errors (~10%). I would say...

@montoyjh "for example, that ran for multiple 72-hour cycles on matgen without reaching the force convergence criteria)" I do not see your output files but suspect that your calc is...