[QE-users] [SPAM] Re: Problem with restart_mode='restart'

Suraj P surajp at iitkgp.ac.in
Thu Jul 18 09:28:12 CEST 2024


Hello,
Please find the attached script file (Ni111.sh).

I have already attached the input and output files. The links of the same are as follows:  

input (Ni(111)):
https://drive.google.com/file/d/1PPb6PvDpJECKrtNUSL8RzI73V7XL1zSW/view?usp=drive_link

output1:
https://drive.google.com/file/d/1Hb5mqXD5Wr3jpE81Aww7v0h_Uqa96bX4/view?usp=drive_link

input2:-----> used for restarting
https://drive.google.com/file/d/1VeHWLRoAoP7iVAvEAtCCQZrEit2N4eZZ/view?usp=drive_link

output2afterrestarting:  
https://drive.google.com/file/d/12suf8CbOun1JpA_vewfQJgApD05QotpC/view?usp=drive_link

The file size is more than 200kB so I have to upload it through link.

Thanking you
Suraj
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