Hello All,
Pardon me if this a novice question. But it will be very helpful if someone can confirm If I understand this right or correct me if I am wrong. As manual reads little confusing as it comments on both old vasp.4.6 and new vasp.5.2.
This is regarding potential contribution written in the LOCPOT file for vasp.5.2.12.
1. LOCPOT contains (Ionic+Hartree+XC) contributions if LVTOT=.True. and LVHAR=.False. in INCAR
2. LOCPOT contains (Ionic+Hartree) contributions only if LVTOT=.True. and LVHAR = .True. in INCAR
Thank you !
Regards,
Anuj
Potentials written in LOCPOT file
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mm05b028
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Potentials written in LOCPOT file
Last edited by mm05b028 on Wed May 07, 2014 5:58 pm, edited 1 time in total.
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admin
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Potentials written in LOCPOT file
for vasp.5.2, this is correct. in vasp.4.6, LVHAR is no valid input tag at all
Last edited by admin on Fri May 09, 2014 1:32 pm, edited 1 time in total.
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mm05b028
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Potentials written in LOCPOT file
Thank you Admin. I asked for vasp.5.2.
Last edited by mm05b028 on Mon May 12, 2014 3:15 am, edited 1 time in total.