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- Mon Mar 21, 2011 9:53 am
- Forum: Ground state
- Topic: calculation terminated for bands calculation
- Replies: 0
- Views: 2428
calculation terminated for bands calculation
Dear developers: I came to a strange calculation error for bands calculation, and found the log file showed hdr_check: ERROR - fft grids must be the same for restart from a density file. In fact, i performed two calculations sequentially in one file, and the energy cutoff should be the same for two ...