subject:"\[SIESTA\-L\] error while changing bias"

Re: [SIESTA-L] error while changing bias

2016-09-22 Por tôpico Nick Papior

Please simply try again. There could be many reasons for this problem. MPI exit problems without more specific details may be due to fx communication problems on the node or other. 2016-09-22 13:19 GMT+02:00 toufik esssakhri : > Dear all, > > i want to present the I-V

[SIESTA-L] error while changing bias

2016-09-22 Por tôpico toufik esssakhri

Dear all, i want to present the I-V characteristics, it works fine for biases between -1.5 to -8 (step : 0.1) and also without bias. But for the bias -0.7 it gives the following error : Valence Band Bottom: -10.1950 eV Atoms available/ used atoms : 6 / 6 Orbitals available /