[Wien] Fwd: Problem in Gap

-- Forwarded message -- From: Marzieh Gh Date: Wed, Sep 23, 2015 at 11:18 AM Subject: Problem in Gap To: wien@zeus.theochem.tuwien.ac.at Dear Prof.Blaha & Tran I'm calculating electronic band structure of KTiOPO4 & isostructural crystals by using YSPBE0(with α opt. KTP crysta

Re: [Wien] Fwd: Problem in Gap

Hi, Send the file case.scf such that we can have a look. F. Tran On Wed, 23 Sep 2015, Marzieh Gh wrote: -- Forwarded message -- From: Marzieh Gh Date: Wed, Sep 23, 2015 at 11:18 AM Subject: Problem in Gap To: wien@zeus.theochem.tuwien.ac.at Dear Prof.Blaha & Tran   I'm