How to construct a TMPCAR file manually

[Qiuju Zhang]

My md job is very short (<10 steps) and has to be repeated after adjusting the number of electrons. I think it can save a lot of time with ISTART=3.

I saw the previous posts that TMPCAR is no longer supported, so I am wondering how to construct it manually.

BTW, I use vasp 6.2.1 version.

[merzuk.kaltak]

Dear Qiuju Zhang,

you might be interested in IWAVPR tag.

[Qiuju Zhang]

Dear Prof. Merzuk Kaltak,

Thank you ver much for your reply!

I was concerned about the IWAVPR parameter earlier, but it did not mention how to generate a TMPCAR file.

I still tested all IWAVPR = 0 | 1 | 2 | 3 | 10 | 11 | 12 | 13. As you can see, there is no TMPCAR file generated.

Code: Select all

$ ls
cal_0  cal_1  cal_10  cal_11  cal_12  cal_13  cal_2  cal_3  INCAR  KPOINTS  POSCAR  
$ grep IWAVPR */INCAR
cal_0/INCAR:IWAVPR=0
cal_10/INCAR:IWAVPR=10
cal_11/INCAR:IWAVPR=11
cal_12/INCAR:IWAVPR=12
cal_13/INCAR:IWAVPR=13
cal_1/INCAR:IWAVPR=1
cal_2/INCAR:IWAVPR=2
cal_3/INCAR:IWAVPR=3
$ grep IWAVPR cal_*/TMPCAR
grep: cal_*/TMPCAR: No such file or directory