OK, Dr. Tran, thank you
On Thu, 8 Feb 2024, 15:27 , wrote:
> The file vectorhfdn_old is probably corrupted. Delete it and restart the
> calculation.
>
> On 08.02.2024 05:19, shamik chakrabarti wrote:
> > Dear Wien2k users,
> >
> > I have started to run -hf for a 16 atom cell. The
The file vectorhfdn_old is probably corrupted. Delete it and restart the
calculation.
On 08.02.2024 05:19, shamik chakrabarti wrote:
Dear Wien2k users,
I have started to run -hf for a 16 atom cell. The
simulation was running smoothly while at some time, power failure
occurred &
Dear Wien2k users,
I have started to run -hf for a 16 atom cell. The
simulation was running smoothly while at some time, power failure occurred
& the server got stopped. After the recovery, while I started to run -hf
again, the following error occurs (as shown in STDOUT)
STOP LAPW
Dear wien2k users and programmers,
I am trying to run hartree-fock calculations in a monoclinic cell.
I am using the following system :
-wien2k v14.2
-compiled with intel ifort and intel mkl
-on a cluster with intel xeon processors
-running on a single core
In fact, I want to do screened exchan
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