29 lines
429 B
Plaintext
29 lines
429 B
Plaintext
&SIMUL
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irand = 4091
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tstep = 5.d-15 ! in sec
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npas= 50000
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scrivo= 1000
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npast = 5000
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tinit = 276.d0
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type_process = 'melting'
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vnu = 5.0d11
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filepos = 'toMelt_39.xyz'
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filepot = '../pot.pot'
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mgo_substrate = .false.
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impl_env = .false.
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/
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&SYSTEM
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type_potential='rgl'
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natom = 39
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elem1 = 'Ag'
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elem2 = 'Ag'
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fattor=1.d0 !leave it
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sys='mon' !mon o bim a secondo che elem1 = elem2 oppure no
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/
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&MELT
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tcaloric = 1200.d0
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deltat = 100.d0
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/
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