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About the How To category
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0
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597
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July 1, 2020
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Explicit Solvation Models in Q-Chem
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2
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79
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November 1, 2024
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TS search without exact hessian
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5
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63
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October 29, 2024
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Q chem software
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3
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121
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October 10, 2024
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Modifying orbital occupancy
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3
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139
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September 3, 2024
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HOMO-LUMO in SF-TDDFT method
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7
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257
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August 20, 2024
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Iqmol 3 (latest version)
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2
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215
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August 12, 2024
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How to fix this problem?
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1
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189
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July 15, 2024
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How fix the message " illegal primitive type " when open wfn file using AIM2000
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3
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170
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June 27, 2024
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Global density dependent (GDD) tuning procedure
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3
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305
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April 17, 2024
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Finding Max and Min values of avg local ionisation energy from a cube file
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1
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234
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April 2, 2024
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How to run DEA-CCSD calculations
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5
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313
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March 28, 2024
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Screened range separation hybrid
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4
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308
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March 28, 2024
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LR-PCM for TDDFT
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2
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268
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March 24, 2024
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How can I define BASIS2 for metal atoms?
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3
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237
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March 6, 2024
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Dyson orbital of pyrazine
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6
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365
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March 5, 2024
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Running calculations with PyQChem
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1
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287
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February 23, 2024
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Slurm Module Instalation
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1
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278
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January 10, 2024
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Latest IQmol from GitHub refuses to compile
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5
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535
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January 6, 2024
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QC_MD VIBRATIONAL spectra
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1
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312
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December 21, 2023
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How to troubleshoot artifical negative frequencies
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5
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637
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November 20, 2023
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For two identical atoms, how to use an all electron basis set for one atom and a pseudopotential(ECP) for the other atom
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1
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427
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November 13, 2023
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How to generate NTO cube files for EOM-EE calculations?
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2
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479
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November 9, 2023
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Feeding ezDyson with DFT orbitals
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0
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294
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November 6, 2023
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Printing specific COVPs
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2
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350
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October 6, 2023
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Problem with output
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1
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304
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October 5, 2023
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Multiprocessor, gpu and iqmol
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3
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386
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August 28, 2023
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Parallel Q-Chem Jobs
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2
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454
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August 23, 2023
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Error in Q-Chem run part 1
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4
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446
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July 31, 2023
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Hardware for running Q-Chem
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0
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302
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July 25, 2023
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