Problem With Constant Electric Field
Pankaj Mishra
pkmis... at gmail.com
Wed Jun 19 09:34:40 UTC 2013
Dear All,
I am trying to NVE MD simulation with constant electric field for single Ne
stom. But i am getting error
***********************************************
*** ERROR in cp_fm_syevd (MODULE cp_fm_diag) ***
************************************************
*** Matrix diagonalization failed ***
*** Program stopped at line number 215 of MODULE cp_fm_diag *** .
It is working fine without electric field and gaussian envelop. But with
constant and ramp, it is showing error. Here i am attaching my input file.
I hope it will help you to find problem.
It is very necessary for me. I hope for your suggestions.
Thank you so much
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