<div dir="ltr"><div><div>Dear All,<br></div> Here are some doubts regarding NEB calculation.<br><br>1) <b>SCF control on each image:</b><br><br> Is there any way to control the SCF calculation on each image individually instead of having a common SCF input for all images?<br>
<br></div> 2) <b>Issue on restart:</b><br><br>For any particular NEB
path, if the SCF calculations were done for some images while remaining
images were pending. Then if we restart our NEB calculation always it
starts from initial image (from 1st image for path zero, 2nd image for
all other path). Can we restart it from that particular image up to
which SCF calculation was done or can we restart from a particular SCF iteration
corresponds to a specific image? <br>
<div><br></div><div>Any kind of information / help / suggestion will be highly appreciated. <br><br><br></div><div>Thanks & Regards,<br></div><div>Ajit Jena,<br></div><div>Dept. of Physics,<br></div>IIT Madras.</div>