密度汎関数法による電子状態計算のパッケージABINIT

> git clone https://github.com/abinit/abinit -b 8.1.3
> cd abinit/src
> grep "好きな文字列" */*

--- Iteration: (   1/1000) Internal Cycle: (1/1)

'--- Iteration: (',itime,'/',ntime,') Internal Cycle: (',icycle,'/',ncycle,')',ch10,('-',kk=1,80)

!specs%ncycle is 1 by default except for ionmov=1,9,14

 
 scprqt:  WARNING -
  nstep=  300 was not enough SCF cycles to converge;
  maximum energy difference=  1.424E-03 exceeds toldfe=  1.000E-06

 At SCF step   16, etot is converged : 
  for the second time, diff in etot=  2.964E-07 < toldfe=  1.000E-06