[Wien] Problem with Wien2k 17 installation

[Md. Fhokrul Islam]

Looks like you haven't changed $WIENROOT in your .bashrc (or whatever shell you are using).

You need to change the $WIENROOT to the path of the new directory where you have installed

Wien2k17.1.


  $WIENROOT = /cluster/home/lokanath/lib/w217


Fhokrul



________________________________
From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of lokanath patra <lokanath.patra007 at gmail.com>
Sent: Thursday, October 12, 2017 7:27 AM
To: A Mailing list for WIEN2k users
Subject: [Wien] Problem with Wien2k 17 installation

Dear all,

I have installed Wien2k 17. To start with some test calculation, I performed spin polarized calculations with Ni. Everything running fine. But when I checked the case.scf file, it's still showing the old version like following.

:LABEL1: Calculations in /cluster/home/lokanath/WIEN2k/Ni
:LABEL2: on login-0-1.local at Mon Oct  2 20:22:29 CEST 2017
:LABEL3: using WIEN2k_14.2 (Release 15/10/2014) in /cluster/home/lokanath/lib/w215
:LABEL4: using the command: runsp_lapw -so -ec 0.0001 -NI

I have installed Wien2k in /cluster/home/lokanath/lib/w217.

What might be the error??

Thank you and Regards,
Lokanath

--
Lokanath Patra
Ph.D Scholar
Dept. of Physics
School of Applied and Basic Sciences
Central University of Tamil Nadu
Thiruvarur
Tamil Nadu - 610101
Ph no - +91-8675834507

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