t; Reply-To: A Mailing list for WIEN2k users <
>> wien@zeus.theochem.tuwien.ac.at>
>> To: A Mailing list for WIEN2k users
>> Subject: [Wien] GGA-PBE and YS-PBE0
>>
>>
>> Dear Wien2k community,
>>
>>I would like to know if it is reasonable to use YS-PB
2016-07-14 13:27, Luis Ogando wrote:
Date: Thu, 14 Jul 2016 13:27:38
From: Luis Ogando
Reply-To: A Mailing list for WIEN2k users
To: A Mailing list for WIEN2k users
Subject: [Wien] GGA-PBE and YS-PBE0
Dear Wien2k community,
I would like to know if it is reasonable to use YS-PBE0 (HSE
Dear Wien2k community,
I would like to know if it is reasonable to use YS-PBE0 (HSE) hybrid
functional in a structure optimized with GGA-PBE. In other words, I would
like to know if the expected effect of the hybrid functional on the Energy
x Volume curve given by the correspondent semilocal fu
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