Re: [Wien] time difference among nodes

-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Luis, First of all, I wonder: To what extent is this problem reproducible? E.g., does your job always run on the same 4 nodes? Is it always the same node(s) that are slow? Does the problem also show up in other calculations (maybe just changing the

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

[Wien] Regarding spin orbit coupling calculations (SOC)

Dear All I have one query regarding the spin orbit coupling calculations. Ca n I did the SO-calculations with out apply U and spin polarization. If yes, then please help me that, how to calculate the density of states. I means the commands for calculating the density of states. Regards Azam

[Wien] formation energy

Dear WIEN2k user: I am interested in the formation energy. I've searched the mailing address, but I still can't get it. I found the definition of formation energy is like this (Ga15MnN16 for example) : formation energy = total ENE of Ga15MnN16 -15*total ENE for Ga metal in standard state

Re: [Wien] time difference among nodes

Dear Prof. Marks, As I suspected, users can not use ganglia. Our administrators are very jealous !! Dear Elias Assmann, Many thanks for your comments. I will try to comment on some of them. First of all, I wonder: To what extent is this problem reproducible? > E.g., does your job always