[Pw_forum] NEB convergence problem, how to clean up extrapolation files?

[Liangliang HUANG]

Hi,

One of my neb calculations failed with the warning message in the out file,
saying:
"WARNING: scf convergence NOT achieved on image 5
cleaning-up extrapolation files"

I assume that I shall delete some files from the outdir folder where all
intermediate files are stored. But what files I shall delete in order to
restart the neb calculation?

The image number in that calculation is 7, so in the outdir folder I have
subfolders named top_1, top_2, top_3, top_4, top_5, top_6, top_7, and also
some other files, namely, top.broyden, top.path0, top.path1, top.path2,
top.path3. Here 'top' is the prefix I set in the input control file.

Thanks a lot in advance.

Paul
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