DFT/hartree Fock calculations


by jacone
Tags: calculations, dft or hartree, fock
Rajini
Rajini is offline
#19
Nov7-10, 08:00 AM
P: 596
Quote Quote by deepak1032 View Post
After a break I am back again. Can anyone help me with Gaussian software? I am frequently facing problem, particularly the link died problem, with server error #2070, even if I take a small molecule like formaldehyde and H2 system. Why does this error occurs? Can anyone help me with these error and other errors or tell me where can I find some details for the same. I am using Gaussian 03W.

Any hint shall be of great help to me.

Rgds
Deepak
could you please send the input file..do you just optimize the structure or just finding frequencies? Complete details can be seen in gaussian.org.
Kukhun
Kukhun is offline
#20
Jan27-11, 10:54 AM
P: 1
Quote Quote by deepak1032 View Post
After a break I am back again. Can anyone help me with Gaussian software? I am frequently facing problem, particularly the link died problem, with server error #2070, even if I take a small molecule like formaldehyde and H2 system. Why does this error occurs? Can anyone help me with these error and other errors or tell me where can I find some details for the same. I am using Gaussian 03W.

Any hint shall be of great help to me.

Rgds
Deepak
Hi Deepak,

I am facing the exact same problem error # 2070, did you get to know, why this error is occurring all the time?

Thanks,
Kukhn
rajavel
rajavel is offline
#21
Jan13-12, 04:29 AM
P: 1
Is it possible to do calculations for crystal field (for Solid state) with Gaussian software ?


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