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Author Topic: PAW  (Read 3553 times)

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Offline manishk19

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PAW
« on: January 17, 2018, 19:33 »
Hello Sir,
Please tell me how can I apply PAW in atk
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Offline Petr Khomyakov

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Re: PAW
« Reply #1 on: January 17, 2018, 21:28 »
The PAW is not implemented in the QuantumATK yet.
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Offline manishk19

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Re: PAW
« Reply #2 on: January 18, 2018, 11:22 »
Sir,
Is there any method or trick in atk with which I can get same results as obtained by PAW.
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Offline Petr Khomyakov

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Re: PAW
« Reply #3 on: January 18, 2018, 13:03 »
No. In the QuantumATK, only norm-conserving pseudopotentials are implemented, not PAW.
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