Hi,
Can you set calculation='bands' in your nscf.in file instead of calculation='nscf'?
Thanks!
Shashi
Search found 1 match
- Tue Jul 11, 2023 8:09 pm
- Forum: Running the code
- Topic: forrtl: severe (174): SIGSEGV, segmentation fault occurred
- Replies: 6
- Views: 12545