Hello users of VASP.
How can i fixe the temperature and pressure in the INCAR file?
where i read the pressure in the OUTCAR file?
what is the unity of pressure KB?
Thank you in advance.
how fixe the temperature and pressure
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rghomari
how fixe the temperature and pressure
Last edited by rghomari on Fri Jan 16, 2009 9:23 pm, edited 1 time in total.
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how fixe the temperature and pressure
T can be fixed by TEBEG and TEEND,
the pressure by PSTRESS (in kB). Please mind that it corresponds to a hydrostatic pressure on the cell.
in OUTCAR, the pressure is given in kB.
the pressure by PSTRESS (in kB). Please mind that it corresponds to a hydrostatic pressure on the cell.
in OUTCAR, the pressure is given in kB.
Last edited by admin on Fri Jan 23, 2009 1:33 pm, edited 1 time in total.