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quantum-espresso/TDDFPT/Examples/CH4-ENVIRON/CH4.tddfpt-in

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Adding an example how to run turboTDDFT using the Environ module git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10743 c92efa57-630b-4861-b058-cf58834340f0
2014-02-09 02:33:10 +08:00
&lr_input
Improved the example of using TDDFPT (Lanczos) + Environ. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12999 c92efa57-630b-4861-b058-cf58834340f0
2016-09-21 21:36:43 +08:00
prefix="CH4",
Adding an example how to run turboTDDFT using the Environ module git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10743 c92efa57-630b-4861-b058-cf58834340f0
2014-02-09 02:33:10 +08:00
outdir='./out',
restart_step=250,
restart = .false.
lr_verbosity = 1
/
&lr_control
itermax=500,
pseudo_hermitian = .true.
ipol=4
n_ipol = 3
/