Re: [Wien] Problem with Wien2k 17 installation

2017-10-12 Thread lokanath patra
to change the $WIENROOT to the path of the new directory where >> you have installed >> >> Wien2k17.1. >> >> >> $WIENROOT = /cluster/home/lokanath/lib/w217 >> >> >> Fhokrul >> >> >> >> -- >&

Re: [Wien] Problem with Wien2k 17 installation

2017-10-12 Thread Gavin Abo
*From:* Wien <wien-boun...@zeus.theochem.tuwien.ac.at <mailto:wien-boun...@zeus.theochem.tuwien.ac.at>> on behalf of lokanath patra <lokanath.patra...@gmail.com <mailto:lokanath.patra...@gmail.com>> *Sent:* Thursday, Octo

Re: [Wien] Problem with Wien2k 17 installation

2017-10-12 Thread lokanath patra
ien.ac.at> on behalf of > lokanath patra <lokanath.patra...@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 so

[Wien] Problem with Wien2k 17 installation

2017-10-12 Thread lokanath patra
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