Thank you Prof. Tran
On Fri, 2 Jun 2023, 22:43 , wrote:
> Executing clean_lapw is still preferable to avoid a case.scf file that
> contains the info about this 1st wrong iteration.
>
> On 02.06.2023 18:18, Peter Blaha wrote:
> > Try it out.
> >
> > Am 02.06.2023 um 14:21 schrieb shamik
Executing clean_lapw is still preferable to avoid a case.scf file that
contains the info about this 1st wrong iteration.
On 02.06.2023 18:18, Peter Blaha wrote:
Try it out.
Am 02.06.2023 um 14:21 schrieb shamik chakrabarti:
Dear Wien2k users,
Initially I have
Try it out.
Am 02.06.2023 um 14:21 schrieb shamik chakrabarti:
Dear Wien2k users,
Initially I have forgotten to add -hf in a
calculation initialized for running -hf for one cycle. However, I have
stopped the calculation after one cycle which contains initialization
Dear Wien2k users,
Initially I have forgotten to add -hf in a
calculation initialized for running -hf for one cycle. However, I have
stopped the calculation after one cycle which contains initialization of
-hf which produces lapw0 -grr during one iteration. After that I
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