thanks sir,i used the utility provided by latest siesta-3.2-pl-5 program.i
obtained coop and cohp curves successfully using this version.
many many thanksAnkush Bharti HPU Shimla
From: Nick Papior Andersen <[email protected]>
To: Ankush Bharti <[email protected]>
Cc: "[email protected]" <[email protected]>
Sent: Wednesday, 22 April 2015 11:57 AM
Subject: Re: [SIESTA-L] COOP utility
I do not know which version of mprop you have (it seems to be rather old?)
But I guess you have executed mprop as:$> mprop h2O.mprwhereas you should
execute it as:$> mprop h2O
2015-04-22 8:22 GMT+02:00 Ankush Bharti <[email protected]>:
after executing mprop on h20.mpr file, following error appears
Using smearing parameter: 0.500Using 200 points in energy rangeAt line 87
of file mprop.f90 (unit = 50, file = 'h20.mpr.mpr')Fortran runtime error: End
of file
how to execute mprop exactly to obtain MLabel.CurveName.coop or
MLabel.CurveName.cohp files?expecting suitable suggestions
thanksankush bharti hpu shimla
--
Kind regards Nick
