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1

General Questions and Answers / Getting error while importing CIF files in builder

« on: October 1, 2020, 05:21 »

Hello
I am encountering an error while importing CIF file in the builder. The error log is below.

Traceback (most recent call last):
  File "C:\Program Files\QuantumATK\QuantumATK-2018.06-SP1-1\Lib\site-packages\AddOns\ConfigurationLoaders\ConfigurationLoaders.py", line 309, in load
    configurations = importCIFFile(filename)
  File "zipdir\NL\IO\CIFFile.py", line 548, in importCIFFile
  File "zipdir\NL\IO\CifHandler\CifHandler.py", line 271, in __init__
  File "zipdir\NL\IO\CifHandler\CifHandler.py", line 314, in ReadCif
CifError:
Cif Format error: Syntax error in input file: last value parsed was 'loop_'
Parser status:
  (@410)  data_name  =  '_refine_special_details'
  (@434)  start_sc_line  =  '\n;\n'
  (@437)  sc_line_of_text  =  'Structure converted from Wien2k struct file, Version 9.1\n'
  (@494)  sc_line_of_text  =  'File Name /home/rashid/WIEN2k/test/test.struct                                            \n'
  (@585)  sc_line_of_text  =  "Title 'BO11Sb8'\n"
  (@601)  end_sc_line  =  ';'
  (@604)  LBLOCK  =  'loop_'
  (@610)  data_name  =  '_symmetry_equiv_pos_as_xyz'
  (@637)  data_value_1  =  'loop_'
  (@643)  data_name  =  '_atom_site_label'

Please help me  to get rid of this problem. Thanks in advance.

2

General Questions and Answers / Problem regarding Monolayer BP Double Gate MOSFET IV characterestics

« on: August 10, 2020, 16:59 »

Hi,

I am trying to simulate a Black phosphorus channel double gate junctionless mosfet. For junctionless mosfet S/D and channel have the same doping concentration. So based on the concept of junctionless mosfet i considered the same doping concentration whole through the device. Unfortunately i am getting the iv curve which is not showing the any on off behaviour also i have some confusion between TCAD and Atomistic simulation.

Here are the specs of  device and parameters i used
Gate length = 6nm
Doping =1e14
Gate Metal = OV (for both gate metals)
Density Mesh cutoff =100 Hartree
K-point sampling (c-direction) =200
Gate voltage = -0.5 to 0V
Drain Voltage = 0.05V
Poisson solver= PCG and Neuman boundary condition in A direction and Periodic in B direction
Device Algorithm = Greens function is used with recursion sellf energy calculator

When i try to dope the channel region with the doping widget, it shows that channel region corresponds to left electrode

So please help me out about this problem whether i am making any mistake and also in TCAD we usually define workfunction of metal gate explicitly but in QuantumATK do i need to explicitly declare the gate metal workfunction or it will calculate the WF for a specific applied bias.

For the convenience i am attaching the log file of the simulation and alos the py file and screenshots of some of the settings.

3

General Questions and Answers / Problem regarding job submission in 2019.12

« on: August 5, 2020, 14:32 »

Hi i am seeing this error when i try to submit the job from scripter to job manager. Also i tried to submit the job after saving the script but that also fails and shows this error.

Traceback (most recent call last):
  File "zipdir\NL\GUI\MainWindow\MainWindow.py", line 1011, in jobManager
  File "zipdir\NL\GUI\MainWindow\MainWindow.py", line 1026, in jobManagerReference
  File "zipdir\NL\GUI\MainWindow\MainWindow.py", line 1043, in singletonTool
  File "zipdir\NL\GUI\Tools\JobManager\JobManager.py", line 271, in __init__
  File "zipdir\NL\GUI\Tools\JobManager\JobManager.py", line 421, in loadSettings
  File "zipdir\NL\GUI\Tools\JobManager\JobManager.py", line 390, in settings
  File "zipdir\NL\IO\NLSaveUtilities.py", line 902, in nlread
  File "zipdir\NL\IO\HDF5.py", line 560, in readHDF5
  File "zipdir\NL\IO\HDF5.py", line 660, in readHDF5Group
  File "zipdir\NL\IO\Serializable.py", line 338, in _fromVersionedData
  File "zipdir\NL\IO\Serializable.py", line 436, in __initFromVersionedData
  File "zipdir\NL\GUI\Tools\JobManager\JobManagerUtilities.py", line 165, in __finalizeObject
IndexError: list index out of range

4

General Questions and Answers / Getting error message while converting from bulk to device

« on: July 29, 2020, 13:56 »

Hi,
I am trying to convert a monolayer black phosporus double gate structure by using device from bulk option. But after trying to convert the structure a error message appears which is as below. Please help me about this problem . I am using QuantumATK 2019.12 SP-1. I also attached the py file of the structure


Traceback (most recent call last):
  File "zipdir\NL\GUI\Plugin\PanelBar\PanelView.py", line 256, in itemClicked
  File "zipdir\NL\GUI\Tools\Builder\PanelBar.py", line 52, in widget
  File "C:\Program Files\QuantumATK\QuantumATK-Q-2019.12-SP1\Lib\site-packages\AddOns\DevicePackage\CreateDeviceFromBulkPlugin.py", line 55, in widget
    self._widget = CreateDeviceFromBulkWidget(configuration, stash=self.stash(), device_type=DeviceConfiguration)
  File "C:\Program Files\QuantumATK\QuantumATK-Q-2019.12-SP1\Lib\site-packages\AddOns\DevicePackage\CreateDeviceFromBulkWidget.py", line 60, in __init__
    self._control = CreateDeviceFromBulkControlWidget(bulk_configuration, device_type)
  File "C:\Program Files\QuantumATK\QuantumATK-Q-2019.12-SP1\Lib\site-packages\AddOns\DevicePackage\CreateDeviceFromBulkWidget.py", line 150, in __init__
    self.setCentralRegion(bulk_configuration)
  File "C:\Program Files\QuantumATK\QuantumATK-Q-2019.12-SP1\Lib\site-packages\AddOns\DevicePackage\CreateDeviceFromBulkWidget.py", line 248, in setCentralRegion
    presenter = Presenter(configuration)
  File "zipdir\NL\GUI\Presenter\Presenter.py", line 180, in __init__
  File "zipdir\NL\GUI\Presenter\Presenter.py", line 260, in setConfiguration
  File "zipdir\NL\GUI\Presenter\Presenter.py", line 279, in _init
  File "zipdir\NL\GUI\Presenter\Presenter.py", line 1552, in spatialRegions
  File "zipdir\NL\GUI\Presenter\Presenter.py", line 2451, in baseConfigurations
  File "zipdir\NL\CommonConcepts\Configurations\BaseProbeConfiguration.py", line 726, in _transverselyRepeatedElectrodes
  File "zipdir\NL\CommonConcepts\Configurations\BaseProbeConfiguration.py", line 726, in <listcomp>
  File "zipdir\NL\CommonConcepts\Configurations\BaseProbeConfiguration.py", line 838, in _repeatElectrode
  File "zipdir\NL\CommonConcepts\Configurations\BulkConfiguration.py", line 1459, in repeat
  File "zipdir\NL\CommonConcepts\Configurations\AtomicConfiguration.py", line 1988, in setMetallicRegions
NL.ComputerScienceUtilities.Exceptions.NLValueError: All metallic regions must have a value that is compatible with Volt

5

Installation and License Questions / Licensing related issue for 12.8.2

« on: July 23, 2013, 19:37 »

Hi,
    I am new with quantumwise and also i am new in this group. I downloaded Quantumwise 12.8.2 and it supports 14days demo. I requested a trial license and the authority replied with a mail   along with text file attachment. The text file name is some numeric value. Is it the trial license?. If its not then how can i use quantumwise for longer period?. Please help me.[/size][/size]