[Wien] Few questions about initialization

[tran at theochem.tuwien.ac.at]

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
>
>