Re: [Wien] SOC DOS Error

Thank you sir. I have not followed that step. I will do it and write you back . On Tue, Sep 29, 2015 at 12:00 PM, Peter Blaha wrote: > After lapw1 and BEFORE lapw2 you need: > > x lapwso -up -p > > On 09/29/2015 06:30 AM, Paresh Chandra Rout wrote: > >> First of

Re: [Wien] SOC DOS Error

After lapw1 and BEFORE lapw2 you need: x lapwso -up -p On 09/29/2015 06:30 AM, Paresh Chandra Rout wrote: First of all thank you very much sir for replying me . I have run lapw1 -up -p and lapw1 -dn -p before entering into the lapw2 as you per your suggestion in archive. Still I am facing

Re: [Wien] SOC DOS Error

First of all thank you very much sir for replying me . I have run lapw1 -up -p and lapw1 -dn -p before entering into the lapw2 as you per your suggestion in archive. Still I am facing the same problem . But I would like to let you know that I have run x *lapw1 -up -p *and x* lapw1 -dn -p

[Wien] SOC DOS Error

Dear all, While doing *DOS* calculation in *spin-orbit coupling *case, I encounter with an error with message running LAPW2 in parallel mode *calculating QTL's from parallel vectors* *FERMI - Error* 0.201u 0.051s 0:00.39 64.1% 0+0k 0+8io 0pf+0w I ran all the command prompt systematically but

Re: [Wien] SOC DOS Error

Did you run the lapw1 steps before that [ http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg11340.html ]? On 9/28/2015 8:01 AM, Paresh Chandra Rout wrote: Dear all, While doing *DOS* calculation in *spin-orbit coupling *case, I encounter with an error with message running