Hi All,
I am a new VASP user. In the manual it says that PREC=High is no longer a recommended setting. Is this simply a matter of space/efficiency or does VASP do bad calculations if one uses this setting?
Thanks in advance.
PREC=High Setting
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Micah
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PREC=High Setting
Last edited by Micah on Thu Feb 03, 2011 3:04 am, edited 1 time in total.
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alex
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PREC=High Setting
Accu is the new high accuracy setting ...
Last edited by alex on Thu Feb 03, 2011 8:11 am, edited 1 time in total.
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Micah
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PREC=High Setting
Hi Alex,
Thank you for answering my question. The reason for it is when one uses the LREAL=On/Auto, then it may become necessary to tune the parameter ROPT, depending on the output for W(low)/X(q) in the OUTCAR file. When the manual discusses this output it only does so for PREC=Low, Medium, High and doesn't say anything for PREC=Accurate.
If anyone has any insights, feel free to enlighten me. I wish the manual had stated more.
Thank you for answering my question. The reason for it is when one uses the LREAL=On/Auto, then it may become necessary to tune the parameter ROPT, depending on the output for W(low)/X(q) in the OUTCAR file. When the manual discusses this output it only does so for PREC=Low, Medium, High and doesn't say anything for PREC=Accurate.
If anyone has any insights, feel free to enlighten me. I wish the manual had stated more.
Last edited by Micah on Thu Feb 03, 2011 3:36 pm, edited 1 time in total.
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Micah
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PREC=High Setting
I answered my own question. PREC=Accurate together with an increased ENCUT achieves the necessary result and there is no need to tune ROPT.
Last edited by Micah on Fri Feb 04, 2011 4:57 am, edited 1 time in total.