actually my work is on thermoelectric materials and i have to use boltztarp code to find thermoelectric proerties. So please provide some details regarding this.
first install boltztrap. once installed you wil find executiblea. make an intrans file n run boltztrap
actually i had installed boltztrap but when i run example bismuth telluride i got followinfg error please suggest how can i remove this:
user@localhost:~/boltztrap-1.2.5/tests/Bi2Te3$ ~/boltztrap-1.2.5/src/x_trans BoltzTraP
================ BoltzTraP vs 1.2.5 =============
ERROR IN OPENING FILE (look in output)
0.0u 0.0s 0:00.00 0.0% 0+0k 0+8io 0pf+0w
what is the reason behind this?
please verify that the name of the files are the same as the name of the folder, the error means boltztrap is not reading the files
see this :https://www.youtube.com/watch?v=lwOEUvrOoF4
https://www.youtube.com/watch?v=Nuo_X75BaDQ
The error appears due to wrong name of the working folder and intrans file. Be sure these names are correctly set up. It seems that your installation is ok. The main problem in the naming convention!
- Badges
- Science topic
- Similar topics
- Filing