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- Wed Mar 20, 2019 11:04 am
- Forum: Ground state
- Topic: Calculation in Gamma point only !!!
- Replies: 1
- Views: 2093
Calculation in Gamma point only !!!
Hi everyone, I am a new user of abinit. I would like to make sure that I am calculating in only Gamma point. This is my input file for 96 atoms: #parallelisation paral_kgb 1 npband 8 bandpp 10 npfft 6 npkpt 8 #algorithme minimisation fftalg 401 wfoptalg 14 iscf 17 #k-points sampling chkprim 0 ngkpt ...