Re: [Wien] BoltzTraP transport properties

Thank you Gavin it work yes the problem is the NOCAL instead CAL thank you very much again 2017-07-21 3:49 GMT+02:00 Gavin Abo : > Sounds like that fixed the problem for you [1]. If not, do you have NOCALC > instead of CALC in case.intrans [2,3]? > > [1]

Re: [Wien] BoltzTraP transport properties

Sounds like that fixed the problem for you [1]. If not, do you have NOCALC instead of CALC in case.intrans [2,3]? [1] gather_energy.patch: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13418.html [2]

Re: [Wien] BoltzTraP transport properties

thank you Karima I gathered the energy's files 2017-07-21 3:41 GMT+02:00 karima Physique : > If you run a parallel calculation, you must first lunch the command: > gather_energy.pl > > 2017-07-21 3:35 GMT+02:00 Lagoun brahim : > >> hallo every

Re: [Wien] BoltzTraP transport properties

If you run a parallel calculation, you must first lunch the command: gather_energy.pl 2017-07-21 3:35 GMT+02:00 Lagoun brahim : > hallo every one > > i am doing a transport properties calculation with (wien2k14.2+BoltzTraP > 1.2.5) code but when i execute: x_trans

[Wien] BoltzTraP transport properties

hallo every one i am doing a transport properties calculation with (wien2k14.2+BoltzTraP 1.2.5) code but when i execute: x_trans BoltzTrP with or without the flags: (-up or -dn or -so) i have the following error message: x_trans BoltzTraP BoltzTraP vs 1.2.5 =