What I see is
run -i120
if this is the case, there is a space missing, it should be
run -i 120
Mensaje original
De: Indranil mal
Fecha: 30/5/19 1:49 PM (GMT-06:00)
A: A Mailing list for WIEN2k users
Asunto: [Wien] Issue regarding default iteration (40) in scf calculation
Also unable to install ELPA
The following might be helpful for those interested in ELPA.
ELPA seemed to compile without any problems with the Intel compilers.
However, the "make check" tests do not pass for my AMD processor
laptop. My hardware resources seem to be lacking that needed for
I forgot to the link of the paper.
https://iopscience.iop.org/article/10.1088/1674-1056/18/1/043
On Thu, May 30, 2019 at 10:10 AM Subhasis Panda
wrote:
> Thank you, Sir, for the help!
> I'm still having some doubts.
> For studying the structural phase transition at T=0K, I've plotted
> enthalpy
After following the references now getting the following error
> stop error
grep: *scf1*: No such file or directory
cp: cannot stat '.in.tmp': No such file or directory
FERMI - Error
grep: *scf1*: No such file or directory
InBi.scf1_1: No such file or directory.
[1] + Done
Dear users and respected sir,
I am trying to calculate band structure of TiC basic
unit cell system using mbj potential with a pc with serial compilation.
However, every time the SCF iteration stops at 40 cycle then I am compiling
"run_lapw-NI -i120" still in the next
-i 120
On Thu, May 30, 2019 at 7:56 PM Indranil mal wrote:
> Dear users and respected sir,
> I am trying to calculate band structure of TiC basic
> unit cell system using mbj potential with a pc with serial compilation.
> However, every time the SCF iteration stops at 40
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