PTEROSOR/sfBSE
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE

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Pierre-Francois Loos 2021-01-19 17:10:48 +01:00
commit 0991e92ea3
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output/H2/EOM-CCSD/h2_scan_step.com Normal file
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#P EOMCCSD(NStates=10,EnergyOnly,Singlets,Root=10) cc-pvqz 6D 10F guess=mix pop=full nosym scan
h2 molecule
0 1
h
h 1 R
R 0.5 70 0.05

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output/H2/EOM-CCSD/h2_scan_step.log Normal file
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