Re: [Wien] Error with NMR calculation

2017-05-16 Thread karima Physique
n.ac.at> >> <mailto:wien-boun...@zeus.theochem.tuwien.ac.at >> <mailto:wien-boun...@zeus.theochem.tuwien.ac.at>>] im Auftrag von >> karima Physique [physique.kar...@gmail.com >> <mailto:physique.kar...@gmail.com> >&g

Re: [Wien] Error with NMR calculation

2017-05-16 Thread Peter Blaha
r...@gmail.com> <mailto:physique.kar...@gmail.com <mailto:physique.kar...@gmail.com>>] Gesendet: Montag, 15. Mai 2017 00:31 An: A Mailing list for WIEN2k users Betreff: [Wien] Error with NMR calculation I launched the following commands

Re: [Wien] Error with NMR calculation

2017-05-15 Thread karima Physique
Wien [wien-boun...@zeus.theochem.tuwien.ac.at >> <mailto:wien-boun...@zeus.theochem.tuwien.ac.at>] im Auftrag von >> karima Physique [physique.kar...@gmail.com >> <mailto:physique.kar...@gmail.com>] >> >> Gesendet: Montag, 15. Mai 2017 00:31 >>

Re: [Wien] Error with NMR calculation

2017-05-15 Thread Peter Blaha
@gmail.com>] Gesendet: Montag, 15. Mai 2017 00:31 An: A Mailing list for WIEN2k users Betreff: [Wien] Error with NMR calculation I launched the following commands : run_lapw x_nmr -mode in1 x_nmr -metal for NMR calculation of a diamagnetic material (metal) A

Re: [Wien] Error with NMR calculation

2017-05-15 Thread karima Physique
Wien [wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von karima > Physique [physique.kar...@gmail.com] > Gesendet: Montag, 15. Mai 2017 00:31 > An: A Mailing list for WIEN2k users > Betreff: [Wien] Error with NMR calculation > > I launched the following commands : > run_lapw &g

Re: [Wien] Error with NMR calculation

2017-05-14 Thread Fecher, Gerhard
Von: Wien [wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von karima Physique [physique.kar...@gmail.com] Gesendet: Montag, 15. Mai 2017 00:31 An: A Mailing list for WIEN2k users Betreff: [Wien] Error with NMR calculation I launched the following commands : run_lapw x_nmr -mode in1 x_nmr -meta

[Wien] Error with NMR calculation

2017-05-14 Thread karima Physique
I launched the following commands : run_lapw x_nmr -mode in1 x_nmr -metal for NMR calculation of a diamagnetic material (metal) And I got the following error; EXECUTING: /home/Work/Wien2k/nmrc -case Dia -mode current-green -scratch ./ -noco-metal forrtl: severe