Re: [Wien] Thermoelectric properties

2018-11-03 Thread abderrazek khireddine
Yes بتاريخ 03‏/11‏/2018 17:14، كتب "Fecher, Gerhard" : > Have a look at the program boltztrap > > Ciao > Gerhard > > DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy: > "I think the problem, to be quite honest with you, > is that you have never actually known what the question is." > >

Re: [Wien] Thermoelectric properties

2018-11-03 Thread Gavin Abo
FYI, it is recommended to use the new version 2 of BoltzTraP (called BoltzTraP2): https://www.imc.tuwien.ac.at/forschungsbereich_theoretische_chemie/forschungsgruppen/prof_dr_gkh_madsen_theoretical_materials_chemistry/boltztrap2/

Re: [Wien] Thermoelectric properties

2018-11-03 Thread Fecher, Gerhard
Have a look at the program boltztrap Ciao Gerhard DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy: "I think the problem, to be quite honest with you, is that you have never actually known what the question is." Dr. Gerhard H. Fecher Institut of

[Wien] Thermoelectric properties

2018-11-03 Thread abderrazek khireddine
Hi how calculated the properties thermoelectric by wien2k? بتاريخ 30‏/10‏/2018 10:04، كتب "Peter Blaha" : The symmetry operations listed in case.outputkgen have no meaning. They are a leftover from an ancient version. Use the ones in case.struct (or case.outputs or case.outputsgroup) On