Re: [QE-users] [External Email] Re: ​EPW error>>kgmap (???)

2021-08-19 Thread 王绍菲
oh! my fault. just us the new pp.py is ok! -Original Messages- From:"王绍菲" Sent Time:2021-08-20 10:58:47 (Friday) To: "hari paudyal" , "quantum espresso users forum" Cc: Subject: Re: Re: [QE-users] [External Email] Re: EPW error>>kgmap (???) Thank

Re: [QE-users] [External Email] Re: ​EPW error>>kgmap (???)

2021-08-19 Thread 王绍菲
ssages- From:"Hari Paudyal via users" Sent Time:2021-08-19 22:15:47 (Thursday) To: "Quantum ESPRESSO users Forum" Cc: Subject: Re: [QE-users] [External Email] Re: EPW error>>kgmap (???) Hi Shaofei Wang, The following error is self explanatory, which is because of i

Re: [QE-users] [External Email] Re: ​EPW error>>kgmap (???)

2021-08-19 Thread Hari Paudyal via users
t; >> -- >> >> >> >> >> >> Best! >> >> >> >> >> ShaoFei Wang >> >> E-mail: wangshao...@ihep.ac.cn >> >> Tel:+8617812085251 >> >> Address: A1-4F-433 room, No.1, Zhongziyuan road, Dalang, DongGuan, >> Guangdong p

Re: [QE-users] [External Email] Re: EPW error>>kgmap

2021-08-18 Thread 王绍菲
Re: [QE-users] [External Email] Re: EPW error>>kgmap Hi ShaoFei Wang, It looks like you do not have an interatomic force constant file (file name should be ifc.q2r) saved in the 'save' directory where you have dyn and dvscf files. For the EPW related problems, I woul

Re: [QE-users] [External Email] Re: EPW error>>kgmap

2021-08-18 Thread Hari Paudyal via users
Hi ShaoFei Wang, It looks like you do not have an interatomic force constant file (file name should be ifc.q2r) saved in the 'save' directory where you have dyn and dvscf files. For the EPW related problems, I would recommend posting on https://forum.epw-code.org/ and an expert will definitely h