I cannot verify this.
Using your struct file and
init -b -numk 100
run i 1
it runs through without error.
There is a :WAR LOPW-exhausted, had to reduce check ...; but this is
perfectly ok.
Are you using the latest WIEN2k version ? In some older versions this
case would produce an error.
Which version of Wien2k?
On Sep 11, 2017 3:13 PM, "xukuncug" wrote:
> Dear professors:
> We are the users of Wien2k soft in the Tsinghua University
> .China, There are some unsolved problem we have encountered，the problem is
> listed as following:
> we conducted Y3Fe5O12(garnet) scf cal
Dear professors:
We are the users of Wien2k soft in the Tsinghua University .China,
There are some unsolved problem we have encountered，the problem is listed as
following:
we conducted Y3Fe5O12(garnet) scf calculation: but after run this 'run_lapw'
code, it gives us the result which ind
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