DFT+U calculation error

Rizwan Nabi rizwan... at gmail.com
Sun May 29 10:42:57 UTC 2016


Hi cp2k users i got following error while doing DFT + U calculations in 
cp2k-4.0 



 *** 15:51:32 ERRORL2 in qs_environment:qs_init_subsys processor 0  :: ***
 *** err=-300 condition FAILED at line 957                             ***
 *************************************************************************


 ===== Routine Calling Stack ===== 

            3 qs_init_subsys
            2 quickstep_create_force_env
            1 CP2K
 CP2K| condition FAILED at line 957
 CP2K| Abnormal program termination, stopped by process number 0
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