[Pw_forum] Error in routine core_charge_ftr (1): rgrid not allocated

Bramha Pandey pandey.bramha at gmail.com
Thu Apr 18 16:22:51 CEST 2013


Dear All developers and users.
i was trying to do vc-cp run given in example01 in CPV folder with extra
setting tabps=.true., in &control and by supplying Namelist
&PRESS_AI
abivol=.true.,P_ext=0,pvar=.true.,P_in=0,P_fin=5., in vc-cp calculation.
But i was got the above mentioned error. i was trying to do variable cell
relaxtaion  the system at varying pressure mention in this Namelist
&PRESS_AI.

Your valuable suggestions is required at this problem.

P.S Also i have removed the 'press' variable given in &cell section but
same error i was found. I was using espresso-5.0.2 with GNU compiler.


-- 
Thanks and Regards
Bramha Prasad Pandey
Indian School of Mines(ISM)
Dhanbad, INDIA.
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