providing MO vec guesses

Just Got Here

12:35:35 PM PST - Wed, Dec 4th 2013
I'm interested to know if there is a way to provide nwchem with a set of MO coefficients that were computed outside of nwchem as an initial guess. I know its possible to extract data from the movec files when using DPLOT, and they are very useful for restarting calculations, but is there a way to write a set of coefficients into the movec files, so as to use the inserted coefficients as an initial guess?

Just Got Here

5:12:49 AM PST - Mon, Nov 9th 2015
me = 0 Eigenvector 17 failed to convergve in inv it3
NWCHEM input start charge +1 print none Basis spherical library 6-31g* END dft iterations 2000 xc b3lyp print none end SET task:theory dft ERROR me = 0 MAXITS exceeded in inv_it c1= 16 cn= 17 b1= 16 bn = 17 nrm = 1.09127 stpcrt = 1.11803 xj = 1.000000e+00 onenrm = 1.000000e+00 d[16] = 1.000000e+00 e[16] = -8.831975e-17 d[17] = 1.000000e+00 e[17] = -1.779574e-16 me = 0 Eigenvector 17 failed to convergve in inv_it3 Error in pdspevx. me = 0 pstein returned info = 18 Error in pdspevx. me = 2 pstein returned info = 18 Error in pdspevx. me = 1 pstein returned info = 18 Error in pdspevx. me = 3 pstein returned info = 18 Error in pdspevx. me = 4 pstein returned info = 18 Error in pdspevx. me = 5 pstein returned info = 18 Error in pdspevx. me = 7 pstein returned info = 18 Error in pdspevx. me = 6 pstein returned info = 18 I am trying to do direct dynamics with VENUS-NWCHEM.