Re: [Wien] How to fix this error?
Hello again When trying to execute a simple example, I found that the problem is at the level of execution of LAPW2 program: regabdou@algerien1970-Dell:~/WIEN2k/TiC-sp$ runsp_lapw hup: Command not found. STOP LAPW0 END STOP LAPW1 END STOP LAPW1 END STOP FERMI - Error and the error message in file uplapw2.error is: 'FERMI' - EFERMI OUT OF ENERGY RANGE 'FERMI' - STOP IN EFI 'FERMI' - ENERGY OF LOWER BOUND : -2.91477 'FERMI' - NUMBER OF STATES AT THE LOWER BOUND : 16.72392 'FERMI' - ENERGY OF UPPER BOUND : -2.91477 'FERMI' - NUMBER OF STATES AT THE UPPER BOUND : 16.72405 'FERMI' - ADD 4.17600 'FERMI' - SOS 0..........000 'FERMI' - NOS ** Would help to fix this error -- Mr: A.Reggad Laboratoire de Génie Physique Université Ibn Khaldoun - Tiaret Algerie ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] How to fix this error?
Hello again The problem still at the level of LAPW2 program. I have tried to do the calculation of the example of Ni , there is no problem in initialization but i found the error when doing SCF calculation when i obtained this message: regabdou@algerien1970-Dell:~/WIEN2k/Ni-ferro$ runsp_lapw hup: Command not found. STOP LAPW0 END STOP LAPW1 END STOP LAPW1 END STOP LAPW2: semicore band-ranges too large (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error stop error -- Mr: A.Reggad Laboratoire de Génie Physique Université Ibn Khaldoun - Tiaret Algerie ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] How to fix this error?
Hello again Now and trying to execute the example of rutile i found this error at the level of mixer program as before: regabdou@algerien1970-Dell:~/WIEN2k/TiO2-min$ run_lapw -p -fc 1.0 hup: Command not found. STOP LAPW0 END STOP LAPW1 END STOP LAPW1 END STOP LAPW1 END STOP LAPW1 END STOP LAPW1 END STOP LAPW2 - FERMI; weighs written STOP LAPW2 END STOP LAPW2 END STOP LAPW2 END STOP LAPW2 END STOP LAPW2 END STOP SUMPARA END STOP CORE END *** Error in `/home/regabdou/wien2k-2014/mixer': malloc(): memory corruption: 0x083be1b0 *** stop error I will be very grateful -- Mr: A.Reggad Laboratoire de Génie Physique Université Ibn Khaldoun - Tiaret Algerie ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
