Search found 1 match
Search found 1 match • Page 1 of 1
- Tue Jan 19, 2021 4:57 am
- Forum: Ground state
- Topic: Problems related to calculation of momentum distribution of Fe-Cu
- Replies: 0
- Views: 1278
Dear all, I try to obtain the momentum distribution of copper and iron (posdopper: 1, ixcpositron: 2). However, the calculation stops in the middle, and the Doppler file and the error file are not outputted. I do not know why the calculation stops. Calculation can be performed normally with nkpt64 (...