Re: [Wien] linearization!

2016-04-02 Thread Nacir GUECHI
okay thanks.  ** Nacir GUECHI Docteur en Physique du solide.Enseignant-Chercheur à l'université du Dr. Yahia FARES de Médéa,  Algeria (www.univ-media.dz).Laboratoire d'études des surfaces et interfaces des matériaux solides (L.E.S.I.M.S),

Re: [Wien] linearization!

2016-04-02 Thread Laurence Marks
As I said, I suggest NOT using those switches during optimisation. Don't, period. On Apr 2, 2016 14:28, "Nacir GUECHI" wrote: > thanks for reply. > i use the package mini; i want know how the file .in1 changes when we > added the two switches "-in1new N -in1orig" in the case

Re: [Wien] linearization!

2016-04-02 Thread Nacir GUECHI
thanks for reply. i use the package mini; i want know how the file .in1 changes when we added the two switches "-in1new N -in1orig" in the case of optimization+relaxation processes for 05 volumes. furthermore, i thought to use only -in1new N switch after that i changed the energy increment for

Re: [Wien] linearization!

2016-04-02 Thread Laurence Marks
I suggest NOT using -in1new with MSR1a. On Apr 2, 2016 06:01, "Nacir GUECHI" wrote: > Dear wien users. > is the switch "-in1new 3 -in1orig" sufficient to do > optimization+relaxation? > or, we use only the switch -in1new3; and after 3 cycles we change > the energy increment