On page 127 of the WIEN2k 19.1/19.2 UG [1] under section "7.6.2 Input"
for case.inhf, I see:
gmax=6 can eventually represent a good compromise between computational
time and accuracy.
If it were my calculation, I would start with using the gmax=6 in
case.inhf following that advice and only
Dear Prof. Gavin Abo
Thanks a lot for your kind help.
However, I removed all files from the case directory and started with structure
file with no warning .
I use wien2k_19.1 complied with gfortran in parallel.
I used gmax = 16 in inhf and in2 files.
In init_hf step
The k-mesh was not redused
I have encountered the "gmax in case.inhf larger than gmax in case.in2"
before. Though, in my case, it was for case.in2c in cycle 1 of the scf
that the error occurred instead of case.in2.
In my case, it happened during a sloppy NiO calculation because gmax was
12 in NiO.in2c but I had put
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