[Wien] Few questions about initialization

[Dr. K. C. Bhamu]

Hii Dr. Tran,

I am making some automatic scripts. So for the next calculations I want to
grep -ecut (energy required to separate out core and valence states).
I have a work around (print -ecut in some file and then read from that file
for further calculations).

Regards
Bhamu

On Tue, Jun 4, 2019, 1:36 AM <tran at theochem.tuwien.ac.at> wrote:

> Hi,
>
> It's not possible to use gmax in batch mode with WIEN2k version 18.
> It will be possible with version 19.
>
> Which ecut?
>
> FT
>
> On Monday 2019-06-03 20:23, Dr. K. C. Bhamu wrote:
>
> >Date: Mon, 3 Jun 2019 20:23:31
> >From: Dr. K. C. Bhamu <kcbhamu85 at gmail.com>
> >Reply-To: A Mailing list for WIEN2k users <
> wien at zeus.theochem.tuwien.ac.at>
> >To: A Mailing list for WIEN2k users <Wien at zeus.theochem.tuwien.ac.at>
> >Subject: [Wien] Few questions about initialization
> >
> >Dear Wien2k Experts,
> >I have some queries about initialization
> >
> >1. how to use gmax in batch mode ?
> >2. How to grep ecut ?
> >
> >3. This may be not for Wien2k related issue but  any experienced use may
> help or it may be related with Wien2k.
> >
> >When my the  PC is working for last few days and I want to do
> initialization then I face segmentation fault error (see below) and if I
> restart the PC,
> >everything goes well. Is there any workaround so that I do not need to
> restart the PC all the time?
> >
> > next is kgen
> >Segmentation fault
> > n stop error n
> >
> > So this is particular when kgen starts it means "x kgen" does not work.
> >x(_lapw) kgen gives
> >
> >Segmentation fault
> >0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
> >error: command   /home/kcbhamu/WIEN2k_18.2/kgen kgen.def   failed
> >I do not see that this is related to "x" as I faced the issue where my
> "x" was from some other Linux code.
> >
> >
> >Regards
> >Bhamu
> >
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