Dear Prof. Blaha
Thank you very much for your reply . I actually have done a mistake (due to my
lack of understanding) in the job files. My calculation is spin polarized and I
had both
x_lapw dstart -p and x_lapw dstart -up -p/ x_lapw dstart -dn -p enabled. I
changed it and now my calculation
We can only "guess".
You calculations gave the first error in a dstart step.
What says dstart.error
It looks as if you do not have a full initialization in these
directories. And remember, dstart needs not only *in* files, but also
case.rsp/up/dn from x lstart
On 11/15/19 4:18 PM, p
Dear wien2k developers and users
I am not sure whether there is another forum or place to send my previous
question regarding elastic property module comes with wien2k module. I really
appreciate if someone can reply to my previous post regarding the issue in
running rhomb.job etc.
Thank yo
Dear users
I need to calculate elastic constants of a cubic material. I tried to use the
instruction given in the wien2k user guide and could create elastic, rhomb,
tetra and eos directories successfully ( init_elast and elast_setup). But I am
unable to run any of the other job scripts rhomb.jo
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