Re: [Wien] Problem in scf launching !!

> 16.11.2015 14:25, Brahim Abraime wrote: > > *running dstart in single mode > > forrtl: severe (24): end-of-file during read, unit 81, file > > /home/user/WIEN2k/hexa.rsp* > > *0.0u 0.0s 0:00.05 40.0% 0+0k 0+40io 0pf+0w > > error: command /home/user/wien2k/d

[Wien] Problem in scf launching !!

Dear developpers and users, We are trying to run a self consistency calculation of a material with hexagonal structure, but we obtain this error: running dstart in single mode forrtl: severe (24): end-of-file during read, unit 81, file /home/user/WIEN2k/hexa.rsp 0.0u 0.0s 0:00.05 40.0% 0+0k

Re: [Wien] Spin Orbit calculation

/wien2k_13* *on ubuntu2 with PID 26312* *Calculating HoMn2O5-unitcell in /export/users/user1/WIEN2k/tamerd/HoMn2O5-spinorbit/HoMn2O5-unitcell* 2015-01-22 13:09 GMT+00:00 Lyudmila Dobysheva lyuk...@mail.ru: On 22.01.2015 15:24, Brahim ABRAIME wrote: I would like to know how to do parallel execution

[Wien] Electrical properties

Dear developpers and users Is there any way to calculate the electrical properties with Wien2K package Thank You -- *Cordialement*** *B.ABRAIME* *Master Physique Informatique* *LMPHE* *Faculté des sciences Rabat-Agdal* *Université Mohamed

Re: [Wien] Electrical properties

2014-12-11 16:14 GMT+00:00 Brahim ABRAIME b.abra...@gmail.com: Dear developpers and users Is there any way to calculate the electrical properties with Wien2K package Thank You -- *Cordialement*** *B.ABRAIME* *Master Physique Informatique* *LMPHE

Re: [Wien] Parallel compilation installation

The memory RAM in use of the machines does not decrease when we kill the processes of Wien2k on the CPU Ans suggestions please ? Le 17 juin 2014 22:10, Gavin Abo gs...@crimson.ua.edu a écrit : what about the environment in which we must mention the list of machines that will run parallel

[Wien] Parallel compilation installation

Dear Wien users, Could you help me on the parallel installation of Wien on station but in condition of the use of the full power of the station Thank you -- *Cordialement*** *B.ABRAIME* *Master Physique Informatique* *LMPHE* *Faculté des sciences Rabat-Agdal*

Re: [Wien] Error

I think that this error has no effect on your calculation,that's what they told me before 2014-06-03 11:57 GMT+00:00 hüsnü kara husnukar...@gmail.com: Dear Wien2k Users, After this command: runsp_lapw -ec 0.1 -cc 0.1 -NI -i 50 I get hup: Command not found. error. Please, can you

[Wien] About structure on xcrysden

*Dears users and developers,* *Is it normal that there is no bonds between atoms on the lattice structure viewed with XCRYSDEN??* *Thank you* -- *Cordialement*** *B.ABRAIME* *Master Physique Informatique* *LMPHE* *Faculté des sciences

Re: [Wien] About structure on xcrysden

, 2014 5:25 PM, Brahim ABRAIME b.abra...@gmail.com wrote: *Dears users and developers,* *Is it normal that there is no bonds between atoms on the lattice structure viewed with XCRYSDEN?? * *Thank you* -- *Cordialement** * *B.ABRAIME

[Wien] System Error

Dear users I need help for this problem: System Error *Can't read file //home/abraime/WIEN2k/Test/Test.outputd. * -- *Cordialement* ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH

[Wien] Wien2k installation

Dear Users, I am a new user and i want to know the right steps to install wien2k correctly with intel fortran and xcrysden on UBUNTU I will be very thankful if you help me -- *Cordialement* ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at