[Wien] Change of mail ID

2014-06-25 Thread Rita John
Dear Friends, As sify mail provider would cease operation from 1st July 2014, I would like the mails to be sent to my alternative mail ID ritawie...@gmail.com Thanks *Regards* *Dr. Rita JohnProfessorDepartment of Theoretical PhysicsUniversity of MadrasChennai 600 025, India+91 95662 4513

[Wien] hup:Command not found

2014-06-25 Thread hüsnü kara
Dear Wien Users, I got regular structure optimization and initialization. I wrote the command: hkara@hkara-System-Product-Name:~/Calculation/SrTiO3/a3$ *runsp_lapw -ec 0.1 -cc 0.1 -NI -i 50* hup: Command not found. LAPW0 END LAPW1 END LAPW1 END LAPW2 END LAPW2 END CORE END CORE E

Re: [Wien] hup:Command not found

2014-06-25 Thread wasim raja Mondal
Hi, It is not error. Your calculation is correct. You can find discussion about hup command in the mailing list. Regards wasim On Wed, Jun 25, 2014 at 12:14 PM, hüsnü kara wrote: > Dear Wien Users, > > I got regular structure optimization and initialization. I wrote the > command: >

Re: [Wien] hup:Command not found

2014-06-25 Thread hüsnü kara
Ok. Thank you With regards, 25 Haz 2014 19:37 tarihinde "wasim raja Mondal" yazdı: > Hi, > It is not error. Your calculation is correct. You can find > discussion about hup command in the mailing list. > > Regards > wasim > > > > On Wed, Jun 25, 2014 at 12:14 PM, hüsnü kara > wrote: >

[Wien] Error in Lapw1

2014-06-25 Thread Rishi Singh
Dear wien users I am doing spin polarized electronic calculations of GdCd compound. After structure generation when i am running SCF cycle then i got the following error Error in LAPW1 'SELECT' - no energy limits found for atom 1 L= 0 'SELECT' - E-bottom1.0948