[Pw_forum] question on structurerelax
wierzbom at ts.infn.it
Tue Nov 28 11:11:16 CET 2006
On Mon, 27 Nov 2006, Stefano Baroni wrote:
> which system?
> we are decent physicists/chemists, but very poor as psychics ;-)
I don't know what it means "psychics" but for sure
we are all "psychopatic" because one of professors said:
"Who works with legs has sic legs,
who works with a head has a sic head".
> On Nov 27, 2006, at 12:23 PM, Guoying Gao wrote:
>> Dear everyone,
>> When I did scf calculation with experimental parameters
>> (experimental pressure 80GPa), the output file gave P=164GPa, the bond
>> length is near equivalent to that of experiment, why so large diverge
>> in pressure?
>> Anyone who knows the reason is welcomed. Thanks in advance.
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
> Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - Trieste
> [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)
> Please, if possible, don't send me MS Word or PowerPoint attachments
> Why? See: http://www.gnu.org/philosophy/no-word-attachments.html
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