Dear sir,
In geometry optimization, with ATK-DFT I run the program by selecting various functional group(LSDA,GGA,LDA+U ext.) after some time program terminated abnormally with warning message when i chosen LDA+U,LSDA+U,GGA+U,MGGA, SGGA+U ,SMGGA. But in other case of LSDA , GGA,LDA i got good results please give information who to approach with this failure functional groups
thanking you sir
Regards
Gundu
