Potassium atom ground state energy
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asaivenk
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Potassium atom ground state energy
I wanted to calculate the cohesive energy of potassium. For that I obtained the energy for various lattice paramters. I saw in the manual that atomic spin polarization correction has to be added to get the actual cohesive energy. But when I am doing atomic calculation with lattice parameter 14 (Ang) as given in the manual, VASP is giving SEGMENTATION FAULT. I am using VASP5.2.12 and K_sv_GW potential. Can anyone help me solve the problem?
Last edited by asaivenk on Tue Jan 22, 2013 6:52 am, edited 1 time in total.
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admin
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Potassium atom ground state energy
maybe the segfault is due to insufficient memory or stack sizes,
please check if your account has a stack size limit set (ulimit -s) or
try to reduce the requested memory (by decreasing the lattice parameter)
please check if your account has a stack size limit set (ulimit -s) or
try to reduce the requested memory (by decreasing the lattice parameter)
Last edited by admin on Wed Jan 30, 2013 4:12 pm, edited 1 time in total.