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小胖妹yz

[交流] 【求助】优化出问题了

在对结构优化的时候出错了,产生case.clmsum和case.clmsumup都是好的,但是case.clmsumdn时出错了,清大家帮忙!
[1] 3209209
hup - Command not found
Fallback to compatibility mode with "old" save_lapw
Invalid null command
broyden files deleted, clm*, dmat*, vorb*, scf and struct files saved under vCo1Cu2Co3NiO7_mon___2.0
STOP DSTART ENDS
STOP
61.3u 0.1s 1:01 99% 0+0k 3+0io 0pf+0w
Invalid null command
5.6u 0.4s 0:06 99% 0+0k 1+0io 0pf+0w
clmextrapol_lapw has generated a new vCo1Cu2Co3NiO7.clmsum
STOP DSTART ENDS
STOP
61.4u 0.2s 1:01 99% 0+0k 1+0io 0pf+0w
Invalid null command
5.6u 0.4s 0:06 98% 0+0k 6+0io 0pf+0w
clmextrapol_lapw has generated a new vCo1Cu2Co3NiO7.clmup

lib-4190 : UNRECOVERABLE library error
  A numeric input field contains an invalid character.

Encountered during a sequential formatted READ from unit 12
Fortran unit 12 is connected to a sequential formatted text file:
  "vCo1Cu2Co3NiO7.clmup"
Current format:  2071 FORMAT(3X,3I5,2E19.12)
                                      ^
IOT Trap
谢谢!
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