[Wien] Error with lapw2 -qtl

2017-04-21 Thread karima Physique
Dear wien2k users; I had this error when executing the following command (x lapw2 -qtl -up -hf -p -redklist) for calculating dos with hybrid funcional: The error: scp: /HFvectorup_1: No such file or directory scp: /HFvectorup_2: No such file or directory scp: /HFvectorup_3: No such file or

Re: [Wien] Fermi level of hybrid functional

2017-04-21 Thread karima Physique
thank you very much 2017-04-21 23:00 GMT+02:00 : > This is the value next to the last :FER in case.scf > > On Friday 2017-04-21 22:57, karima Physique wrote: > > Date: Fri, 21 Apr 2017 22:57:19 >> From: karima Physique >> Reply-To: A

Re: [Wien] Fermi level of hybrid functional

2017-04-21 Thread tran
This is the value next to the last :FER in case.scf On Friday 2017-04-21 22:57, karima Physique wrote: Date: Fri, 21 Apr 2017 22:57:19 From: karima Physique Reply-To: A Mailing list for WIEN2k users To: A Mailing list for WIEN2k

[Wien] Fermi level of hybrid functional

2017-04-21 Thread karima Physique
Dear Wien2k users; I calculated the band structure of a magnetic material with hybrid functional and I want to know where I can find the value of Fermi level to insert it in the file case.insp. ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at

Re: [Wien] Reg: Wien2wannier in Wien2k_16.1, init_w2w error

2017-04-21 Thread Oleg Rubel
There is an environment variable WANNIER_ROOT, which should point to the root folder of your Wannier90 installation. Here is an example in bash on my machine: $ export WANNIER_ROOT=/home/oleg/WANNIER90-2.0.1 and a check should return $ env | grep WANNIER_ROOT