Binding energy, spin polarization and gibbs free energy How i find in gaussian.because i not see these properties in frequency out put file
Binding energy is a pretty broad term and I believe spin polarization requires a special DFT method. Free energy and other thermal corrections should be present in a normally terminated frequency output.
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Program: g_mmpbsa, version 2024.1 Source file: extrn_apbs.cxx (line 152) Fatal error: Failed to execute command: $APBS pybYcUWA.in --output-file=pybYcUW.out
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Dear Researchers Kindly share JCPDS 65-7246 file Thanks in advance
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