HANDSON TUTORIAL ON THE QUANTUMESPRESSO PACKAGE

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Exercise 5: STM simulation• How to choose the sample_bias? What is the DOS?Fermi energy• Exercise: image empty states
Exercise 5: STM simulation• Set plot namelist to produce a 3D file comptatible with theXCrySDen package:vi runAlAs.stm...&plotnfile=1filepp(1)='AlAs1.0'weight(1)=1.0iflag=3output_format=5fileout='AlAs1101.0.xsf'/3D plot XCrysDen format
Page 3 and 4: Exercise 1: DOS of bulk Ni• Run t
Page 5 and 6: Exercise 1: DOS• Have a look at t
Page 7 and 8: Exercise 1: DOS• Plot the total d
Page 9 and 10: Exercise 1: DOS• More input varia
Page 11 and 12: Exercise 2: PDOS• Have a look at
Page 13 and 14: Exercise 2: PDOS• Plot the s and
Page 15 and 16: Exercise 3: Charge density of Si•
Page 17 and 18: Exercise 3: Charge density of Si•
Page 19 and 20: Exercise 4: Bonding charge densityB
Page 21 and 22: Exercise 4: Bonding charge density
Page 23: Exercise 5: STM simulation• Set u
Page 27: Exercise 6: Si charge (using PWgui)

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HANDSON TUTORIAL ON THE QUANTUMESPRESSO PACKAGE