在做EDA计算的时候，出现该报错。根源是：α电子的数量+β电子的数量，与碎片中的电子数量不相同。例如使用了错误的碎片占据、电荷、自旋，则可能发生这样的错误。
在*.err文件中有：
*.err: !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Unhandled fatal error in libbase: Unable to remove file: D:/SCMTMP/amstmp_ams_kid3.203576647//SCRTC2: open failure, unit 47, file D:\SCMTMP\amstmp_ams_kid3.203576647\SCRTC2 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Unhandled fatal error in libbase: Unable to remove directory: D:/SCMTMP/amstmp_ams_kid3.203576647/ !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Unhandled fatal error in libbase: Unable to remove file: D:/SCMTMP/amstmp_ams_kid0.203576647//SCRTC2: open failure, unit 47, file D:\SCMTMP\amstmp_ams_kid0.203576647\SCRTC2 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Unhandled fatal error in libbase: Unable to remove directory: D:/SCMTMP/amstmp_ams_kid0.203576647/ !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Unhandled fatal error in libbase: Unable to remove file: D:/SCMTMP/amstmp_ams_kid1.203576647//SCRTC2: open failure, unit 47, file D:\SCMTMP\amstmp_ams_kid1.203576647\SCRTC2 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Unhandled fatal error in libbase: Unable to remove directory: D:/SCMTMP/amstmp_ams_kid1.203576647/ !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Unhandled fatal error in libbase: Unable to remove file: D:/SCMTMP/amstmp_ams_kid2.203576647//SCRTC2: open failure, unit 47, file D:\SCMTMP\amstmp_ams_kid2.203576647\SCRTC2 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Unhandled fatal error in libbase: Unable to remove directory: D:/SCMTMP/amstmp_ams_kid2.203576647/ !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ERROR: INCORRECT OCCUPATION
在遇到的案例中，发现是其中一个碎片的adf.rkf文件有问题，重新计算该碎片后，报错即消失。但原先有问题的碎片，使用了restart，重新计算的碎片，没有restart。